Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T32880 | Target Info | |||
| Target Name | HIF-prolyl hydroxylase 2 (HPH-2) | ||||
| Synonyms | SM-20; Prolyl hydroxylase domain-containing protein 2; PHD2; Hypoxia-inducible factor prolyl hydroxylase 2; HPH-2; HIF-PH2; Egl nine homolog 1; C1orf12 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | EGLN1 | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: BAY 853934 | Ligand Info | |||||
| Structure Description | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol (Molidustat) | PDB:6ZBO | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [1] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTG253 DKITWIEGKE 263 PGCETIGLLM273 SSMDDLIRHC283 NGKLGSYKIN293 GRTKAMVACY303 PGNGTGYVRH 313 VDNPNGDGRC323 VTCIYYLNKD333 WDAKVSGGIL343 RIFPEGKAQF353 ADIEPKFDRL 363 LFFWSDRRNP373 HEVQPAYATR383 YAITVWYFDA393 DERARAKVKY403 LTGE |
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| Ligand Name: AKB-6548 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION | PDB:7UMP | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GMLVAQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVACYPGNG307 TGYVRHVDNP317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP 347 EGKAQFADIE357 PKFDRLLFFW367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA 397 RAKVKY
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: FG-2216 | Ligand Info | |||||
| Structure Description | Crystal structure of HIF prolyl hydroxylase EGLN-1 in complex with a biologically active inhibitor | PDB:2HBT | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [3] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GQLVSQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVACYPGNG307 TGYVRHVDNP317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP 347 EGKAQFADIE357 PKFDRLLFFW367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA 397 RAKVKYLKGV410 RVEL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UN9 or .UN92 or .UN93 or :3UN9;style chemicals stick;color identity;select .A:254 or .A:256 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:315 or .A:327 or .A:329 or .A:343 or .A:374 or .A:376 or .A:383 or .A:385 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(carboxymethylamino)-2-oxoacetic acid | Ligand Info | |||||
| Structure Description | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH N-OXALYLGLYCINE (NOG) AND HIF-2 ALPHA CODD (523-542) | PDB:7Q5V | ||||
| Method | X-ray diffraction | Resolution | 1.17 Å | Mutation | No | [4] |
| PDB Sequence |
TKPLPALKLA
194 LEYIVPCMNK204 HGICVVDDFL214 GKETGQQIGD224 EVRALHDTGK234 FTDGQLVSQK 244 SDSSKDIRGD254 KITWIEGKEP264 GCETIGLLMS274 SMDDLIRHCN284 GKLGSYKING 294 RTKAMVACYP304 GNGTGYVRHV314 DNPNGDGRCV324 TCIYYLNKDW334 DAKVSGGILR 344 IFPEGKAQFA354 DIEPKFDRLL364 FFWSDRRNPH374 EVQPAYATRY384 AITVWYFDAD 394 ERARAKVKYL404 TGE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OGA or .OGA2 or .OGA3 or :3OGA;style chemicals stick;color identity;select .A:252 or .A:254 or .A:299 or .A:303 or .A:310 or .A:313 or .A:315 or .A:327 or .A:329 or .A:343 or .A:358 or .A:366 or .A:374 or .A:375 or .A:376 or .A:383 or .A:385 or .A:387 or .A:389; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Alpha-ketoglutaric acid | Ligand Info | |||||
| Structure Description | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542) | PDB:7Q5X | ||||
| Method | X-ray diffraction | Resolution | 1.21 Å | Mutation | No | [5] |
| PDB Sequence |
PLPALKLALE
196 YIVPCMNKHG206 ICVVDDFLGK216 ETGQQIGDEV226 RALHDTGKFT236 DGQLVSQKSD 246 SSKDIRGDKI256 TWIEGKEPGC266 ETIGLLMSSM276 DDLIRHCNGK286 LGSYKINGRT 296 KAMVACYPGN306 GTGYVRHVDN316 PNGDGRCVTC326 IYYLNKDWDA336 KVSGGILRIF 346 PEGKAQFADI356 EPKFDRLLFF366 WSDRRNPHEV376 QPAYATRYAI386 TVWYFDADER 396 ARAKVKYLTG406 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AKG or .AKG2 or .AKG3 or :3AKG;style chemicals stick;color identity;select .A:252 or .A:254 or .A:299 or .A:303 or .A:310 or .A:313 or .A:315 or .A:325 or .A:327 or .A:329 or .A:343 or .A:358 or .A:366 or .A:374 or .A:376 or .A:383 or .A:385 or .A:387 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2s)-2-{[(1-Chloro-4-Hydroxyisoquinolin-3-Yl)carbonyl]amino}propanoic Acid | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Fe(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]alanine | PDB:4BQY | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [6] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GQLVSQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVACYPGNG307 TGYVRHVDNP317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP 347 EGKAQFADIE357 PKFDRLLFFW367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA 397 RAKVKYLVRV412 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FNT or .FNT2 or .FNT3 or :3FNT;style chemicals stick;color identity;select .A:254 or .A:256 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:315 or .A:322 or .A:325 or .A:327 or .A:329 or .A:343 or .A:358 or .A:364 or .A:366 or .A:374 or .A:376 or .A:383 or .A:385 or .A:389; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP254
3.188
ILE256
3.005
MET299
2.739
ALA301
3.926
TYR303
1.847
TYR310
3.298
HIS313
2.696
ASP315
3.367
ARG322
4.641
THR325
4.954
ILE327
2.929
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| Ligand Name: 2-[(1-Methyl-2-Oxidanyl-4-Oxidanylidene-Quinolin-3-Yl)carbonylamino]ethanoic Acid | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Mn(II) and 2-(4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid | PDB:4BQW | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [6] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GQLVSQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVACYPGNG307 TGYVRHVDNP317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP 347 EGKAQFADIE357 PKFDRLLFFW367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA 397 RAKVKY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QNM or .QNM2 or .QNM3 or :3QNM;style chemicals stick;color identity;select .A:254 or .A:256 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:315 or .A:327 or .A:329 or .A:343 or .A:374 or .A:376 or .A:383 or .A:385 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(Isoquinolin-3-ylamino)-4-oxobutanoic acid | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287 | PDB:6YVX | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [7] |
| PDB Sequence |
NGQTLPALKL
193 ALEYIVPCMN203 KHGICVVDDF213 LGKETGQQIG223 DEVRALHDTG233 KFTDGQLVSQ 243 DSSKDIRGDK255 ITWIEGKEPG265 CETIGLLMSS275 MDDLIRHCNG285 KLGSYKINGR 295 TKAMVACYPG305 NGTGYVRHVD315 NPNGDGRCVT325 CIYYLNKDWD335 AKVSGGILRI 345 FPEGKAQFAD355 IEPKFDRLLF365 FWSDRRNPHE375 VQPAYATRYA385 ITVWYFDADE 395 RARAKVKYLT405 GRVEL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2JP or .2JP2 or .2JP3 or :32JP;style chemicals stick;color identity;select .A:254 or .A:256 or .A:258 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:315 or .A:322 or .A:327 or .A:329 or .A:343 or .A:358 or .A:366 or .A:374 or .A:375 or .A:376 or .A:383 or .A:385 or .A:387 or .A:389; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP254
4.102
ILE256
3.406
TRP258
4.273
MET299
2.604
ALA301
4.651
TYR303
2.362
TYR310
3.185
HIS313
2.549
ASP315
2.546
ARG322
3.537
ILE327
2.174
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(5-Bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic JLS-367 | PDB:6YVZ | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [7] |
| PDB Sequence |
PLPALKLALE
196 YIVPCMNKHG206 ICVVDDFLGK216 ETGQQIGDEV226 RALHDTGKFT236 DGQLVSQKSD 246 SSKDIRGDKI256 TWIEGKEPGC266 ETIGLLMSSM276 DDLIRHCNGK286 LGSYKINGRT 296 KAMVACYPGN306 GTGYVRHVDN316 PNGDGRCVTC326 IYYLNKDWDA336 KVSGGILRIF 346 PEGKAQFADI356 EPKFDRLLFF366 WSDRRNPHEV376 QPAYATRYAI386 TVWYFDADER 396 ARAKVKYLRV412 EL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PW8 or .PW82 or .PW83 or :3PW8;style chemicals stick;color identity;select .A:254 or .A:256 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:314 or .A:315 or .A:322 or .A:327 or .A:329 or .A:343 or .A:358 or .A:366 or .A:374 or .A:376 or .A:383 or .A:385 or .A:387 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP254
3.879
ILE256
3.520
MET299
4.282
ALA301
4.790
TYR303
2.376
TYR310
3.195
HIS313
2.528
VAL314
4.652
ASP315
2.131
ARG322
3.973
ILE327
2.044
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| Ligand Name: 4-[(5-Bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with monocyclic BB-328 | PDB:6YVW | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [7] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GQLVSQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVACYPGNG307 TGYVRHVDNP317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP 347 EGKAQFADIE357 PKFDRLLFFW367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA 397 RAKVKYLVRV412 EL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PW5 or .PW52 or .PW53 or :3PW5;style chemicals stick;color identity;select .A:254 or .A:256 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:314 or .A:315 or .A:322 or .A:327 or .A:329 or .A:343 or .A:364 or .A:366 or .A:374 or .A:376 or .A:383 or .A:385 or .A:387 or .A:389; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP254
3.096
ILE256
3.227
MET299
2.897
ALA301
4.584
TYR303
2.724
TYR310
2.090
HIS313
2.302
VAL314
4.111
ASP315
2.219
ARG322
3.524
ILE327
2.100
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| Ligand Name: S-Nitrosocysteine | Ligand Info | |||||
| Structure Description | S-nitrosylated PHD2 (GSNO soaked) in complex with Zn(II) and UN9 | PDB:2Y33 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [8] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GQLVSQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVAYPGNGT308 GYVRHVDNPN318 GDGRCVTCIY328 YLNKDWDAKV338 SGGILRIFPE 348 GKAQFADIEP358 KFDRLLFFWS368 DRRNPHEVQP378 AYATRYAITV388 WYFDADERAR 398 AKVKY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SNC or .SNC2 or .SNC3 or :3SNC;style chemicals stick;color identity;select .A:230 or .A:235 or .A:253 or .A:254 or .A:255 or .A:256 or .A:300 or .A:301 or .A:303 or .A:304 or .A:382 or .A:383 or .A:384; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N(6),N(6)-Dimethyl-L-lysine | Ligand Info | |||||
| Structure Description | Lysine-N,N-Dimethylated HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with BB-287 | PDB:6YW0 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [7] |
| PDB Sequence |
LPALLALEYI
198 VPCMNHGICV209 VDDFLGETGQ220 QIGDEVRALH230 DTGFTDGQLV241 SQSDSSDIRG 253 DITWIEGEPG265 CETIGLLMSS275 MDDLIRHCNG285 LGSYINGRTA298 MVACYPGNGT 308 GYVRHVDNPN318 GDGRCVTCIY328 YLNDWDAVSG340 GILRIFPEGA351 QFADIEPFDR 362 LLFFWSDRRN372 PHEVQPAYAT382 RYAITVWYFD392 ADERARAVYL404 TRVEL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MLY or .MLY2 or .MLY3 or :3MLY;style chemicals stick;color identity;select .A:188 or .A:189 or .A:190 or .A:191 or .A:193 or .A:194 or .A:195 or .A:196 or .A:197 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:205 or .A:206 or .A:211 or .A:212 or .A:214 or .A:215 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:242 or .A:243 or .A:245 or .A:246 or .A:247 or .A:248 or .A:250 or .A:251 or .A:252 or .A:253 or .A:254 or .A:256 or .A:257 or .A:258 or .A:259 or .A:260 or .A:261 or .A:263 or .A:264 or .A:266 or .A:267 or .A:270 or .A:273 or .A:282 or .A:283 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:290 or .A:292 or .A:293 or .A:295 or .A:296 or .A:298 or .A:299 or .A:300 or .A:301 or .A:302 or .A:303 or .A:304 or .A:318 or .A:319 or .A:320 or .A:329 or .A:330 or .A:331 or .A:333 or .A:334 or .A:335 or .A:336 or .A:338 or .A:339 or .A:340 or .A:342 or .A:347 or .A:348 or .A:349 or .A:351 or .A:352 or .A:357 or .A:358 or .A:360 or .A:361 or .A:362 or .A:387 or .A:388 or .A:389 or .A:391 or .A:392 or .A:393 or .A:394 or .A:395 or .A:396 or .A:397 or .A:398 or .A:399 or .A:401 or .A:403 or .A:404 or .A:405; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU188
2.480
PRO189
2.448
ALA190
2.980
LEU191
1.327
LEU193
1.329
ALA194
3.075
LEU195
2.975
GLU196
2.034
TYR197
3.711
VAL199
2.204
PRO200
2.051
CYS201
2.882
MET202
3.230
ASN203
1.329
HIS205
1.331
GLY206
3.477
ASP211
2.805
ASP212
4.241
LEU214
4.537
GLY215
1.329
GLU217
1.328
THR218
3.451
GLY219
3.068
GLN220
1.996
GLN221
4.173
ARG227
4.715
ALA228
4.908
LEU229
2.301
HIS230
2.315
ASP231
4.977
THR232
2.282
GLY233
1.328
PHE235
1.328
THR236
2.636
ASP237
2.870
GLY238
2.218
GLN239
4.047
SER242
3.623
GLN243
1.327
SER245
1.311
ASP246
2.745
SER247
3.103
SER248
1.330
ASP250
1.328
ILE251
3.388
ARG252
4.936
GLY253
3.132
ASP254
1.329
ILE256
1.328
THR257
2.732
TRP258
2.733
ILE259
2.920
GLU260
2.194
GLY261
1.330
GLU263
1.329
PRO264
3.847
CYS266
4.288
GLU267
4.367
GLY270
4.839
MET273
3.708
HIS282
4.210
CYS283
2.697
ASN284
3.131
GLY285
1.328
LEU287
1.329
GLY288
3.224
SER289
3.432
TYR290
1.330
ILE292
1.325
ASN293
3.210
ARG295
3.093
THR296
1.325
ALA298
1.325
MET299
3.491
VAL300
3.766
ALA301
2.361
CYS302
2.066
TYR303
4.327
PRO304
2.680
ASN318
2.926
GLY319
3.057
ASP320
2.436
TYR329
2.310
LEU330
3.691
ASN331
1.329
ASP333
1.330
TRP334
2.997
ASP335
2.329
ALA336
1.326
VAL338
1.329
SER339
3.508
GLY340
3.771
ILE342
4.995
PRO347
2.186
GLU348
3.146
GLY349
1.329
ALA351
1.327
GLN352
3.332
GLU357
2.087
PRO358
1.327
PHE360
1.330
ASP361
3.399
ARG362
2.558
THR387
3.995
VAL388
3.036
TRP389
4.282
PHE391
3.730
ASP392
2.621
ALA393
2.070
ASP394
4.554
GLU395
4.635
ARG396
2.261
ALA397
2.360
ARG398
2.780
ALA399
1.328
VAL401
1.329
TYR403
1.331
LEU404
2.675
THR405
3.969
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| Ligand Name: (6-Hydroxy-1,3-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidine-5-Carbonyl)glycine | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | PDB:5OX5 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [9] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GQLVSQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVACYPGNG307 TGYVRHVDNP317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP 347 EGKAQFADIE357 PKFDRLLFFW367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA 397 RAKVKYVRVE413 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B2E or .B2E2 or .B2E3 or :3B2E;style chemicals stick;color identity;select .A:254 or .A:255 or .A:256 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:315 or .A:322 or .A:327 or .A:329 or .A:343 or .A:358 or .A:366 or .A:374 or .A:375 or .A:376 or .A:383 or .A:385 or .A:387 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP254
2.316
LYS255
4.798
ILE256
2.923
MET299
2.761
ALA301
2.424
TYR303
1.959
TYR310
3.007
HIS313
2.292
ASP315
2.895
ARG322
4.406
ILE327
2.573
|
|||||
| Ligand Name: 2-[[5-(6-Methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253 | PDB:6YVT | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [10] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGDKIT257 WIEGKEPGCE 267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK297 AMVACYPGNG307 TGYVRHVDNP 317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP347 EGKAQFADIE357 PKFDRLLFFW 367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA397 RAKVKYL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PW2 or .PW22 or .PW23 or :3PW2;style chemicals stick;color identity;select .A:256 or .A:258 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:315 or .A:322 or .A:327 or .A:329 or .A:343 or .A:358 or .A:364 or .A:366 or .A:374 or .A:376 or .A:383 or .A:385 or .A:387 or .A:389; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE256
3.936
TRP258
3.364
MET299
2.683
ALA301
4.111
TYR303
1.964
TYR310
2.189
HIS313
2.404
ASP315
3.615
ARG322
4.387
ILE327
2.400
TYR329
1.858
|
|||||
| Ligand Name: 6-(5-Oxo-4-(1h-1,2,3-Triazol-1-Yl)-2,5-Dihydro-1h-Pyrazol-1-Yl)nicotinic Acid | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid | PDB:5A3U | ||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [11] |
| PDB Sequence |
QTKPLPALKL
193 ALEYIVPCMN203 KHGICVVDDF213 LGKETGQQIG223 DEVRALHDTD254 KITWIEGKEP 264 GCETIGLLMS274 SMDDLIRHCN284 GKLGSYKING294 RTKAMVACYP304 GNGTGYVRHV 314 DNPNGDGRCV324 TCIYYLNKDW334 DAKVSGGILR344 IFPEGKAQFA354 DIEPKFDRLL 364 FFWSDRRNPH374 EVQPAYATRY384 AITVWYFDAD394 ERARAKVKYL404 TGEKGVRVEL 414 NKPSD
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R8J or .R8J2 or .R8J3 or :3R8J;style chemicals stick;color identity;select .A:299 or .A:303 or .A:310 or .A:313 or .A:315 or .A:322 or .A:327 or .A:329 or .A:343 or .A:374 or .A:376 or .A:383 or .A:385 or .A:387 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(4-Hydroxy-8-iodoisoquinolin-3-YL)carbonyl]glycine | Ligand Info | |||||
| Structure Description | Cellular Oxygen Sensing: Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2) | PDB:2G19 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [12] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GQLVSQKSDS 247 SKDIRGDKIT257 WIEGKEPGCE267 TIGLLMSSMD277 DLIRHCNGKL287 GSYKINGRTK 297 AMVACYPGNG307 TGYVRHVDNP317 NGDGRCVTCI327 YYLNKDWDAK337 VSGGILRIFP 347 EGKAQFADIE357 PKFDRLLFFW367 SDRRNPHEVQ377 PAYATRYAIT387 VWYFDADERA 397 RAKVKY
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4HG or .4HG2 or .4HG3 or :34HG;style chemicals stick;color identity;select .A:254 or .A:256 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:315 or .A:327 or .A:329 or .A:343 or .A:374 or .A:376 or .A:383 or .A:385 or .A:389; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phd-1-IN-1 | Ligand Info | |||||
| Structure Description | Structure of PHD2 in complex with 1,2,4-Triazolo-[1,5-a]pyridine | PDB:5V18 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [13] |
| PDB Sequence |
QTKPLPALKL
193 ALEYIVPCMN203 KHGICVVDDF213 LGKETGQQIG223 DEVRALHDTG233 KFTDGQLVSQ 243 KDKITWIEGK262 EPGCETIGLL272 MSSMDDLIRH282 CNGKLGSYKI292 NGRTKAMVAC 302 YPGNGTYVRH313 VDNPNGDGRC323 VTCIYYLNKD333 WDAKVSGGIL343 RIFPEGKAQF 353 ADIEPKFDRL363 LFFWSDRRNP373 HEVQPAYATR383 YAITVWYFDA393 DERARAGEKG 409 VRVEL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8UY or .8UY2 or .8UY3 or :38UY;style chemicals stick;color identity;select .A:303 or .A:310 or .A:313 or .A:315 or .A:327 or .A:329 or .A:331 or .A:343 or .A:358 or .A:366 or .A:374 or .A:376 or .A:383 or .A:384 or .A:385; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2s)-({[2-(5-Cyano-3-Hydroxypyridin-2-Yl)-1,3-Thiazol-4-Yl]acetyl}amino)(Phenyl)ethanoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2) with (S)-{2-[2-(5-Cyano-3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetylamino}-phenyl-acetic acid | PDB:4KBZ | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [14] |
| PDB Sequence |
TKPLPALKLA
194 LEYIVPCMNK204 HGICVVDDFL214 GKETGQQIGD224 EVRALHDTGK234 FTDGQLVSQK 244 SDSSKDIRGD254 KITWIEGKEP264 GCETIGLLMS274 SMDDLIRHCN284 GKLGSYKING 294 RTKAMVACYP304 GNGTGYVRHV314 DNPNGDGRCV324 TCIYYLNKDW334 DAKVSGGILR 344 IFPEGKAQFA354 DIEPKFDRLL364 FFWSDRRNPH374 EVQPAYATRY384 AITVWYFDAD 394 ERARAKVKYE407 KGLRVELNKP417 S
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1QA or .1QA2 or .1QA3 or :31QA;style chemicals stick;color identity;select .A:241 or .A:242 or .A:252 or .A:256 or .A:258 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:314 or .A:315 or .A:316 or .A:322 or .A:327 or .A:329 or .A:343 or .A:374 or .A:376 or .A:383 or .A:387 or .A:389 or .A:408; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL241
3.591
SER242
3.273
ARG252
3.189
ILE256
4.257
TRP258
3.444
MET299
3.378
ALA301
4.885
TYR303
3.408
TYR310
3.569
HIS313
2.867
VAL314
4.928
ASP315
2.938
|
|||||
| Ligand Name: 1-(5-Chloro-6-Fluoro-1h-Benzimidazol-2-Yl)-1h-Pyrazole-4-Carboxylic Acid | Ligand Info | |||||
| Structure Description | PHD2-R127 with JNJ41536014 | PDB:3OUH | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [15] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHDTGKFTD237 GQLVSQSKDI 251 RGDKITWIEG261 KEPGCETIGL271 LMSSMDDLIR281 HCNGKLGSYK291 INGRTKAMVA 301 CYPGNGTGYV311 RHVDNPNGDG321 RCVTCIYYLN331 KDWDAKVSGG341 ILRIFPEGKA 351 QFADIEPKFD361 RLLFFWSDRR371 NPHEVQPAYA381 TRYAITVWYF391 DADERARAKV 401 KY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .014 or .0142 or .0143 or :3014;style chemicals stick;color identity;select .A:254 or .A:299 or .A:303 or .A:310 or .A:313 or .A:315 or .A:322 or .A:327 or .A:329 or .A:343 or .A:374 or .A:376 or .A:383 or .A:385 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 8-[(3-Methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167) | PDB:6QGV | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [16] |
| PDB Sequence |
LPALKLALEY
197 IVPCMNKHGI207 CVVDDFLGKE217 TGQQIGDEVR227 ALHGDKITWI259 EGKEPGCETI 269 GLLMSSMDDL279 IRHCNGKLGS289 YKINGRTKAM299 VACYPGNGTG309 YVRHVDNPNG 319 DGRCVTCIYY329 LNKDWDAKVS339 GGILRIFPEG349 KAQFADIEPK359 FDRLLFFWSD 369 RRNPHEVQPA379 YATRYAITVW389 YFDADERARA399 KVKYLTGE
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J2H or .J2H2 or .J2H3 or :3J2H;style chemicals stick;color identity;select .A:254 or .A:256 or .A:258 or .A:296 or .A:299 or .A:303 or .A:310 or .A:313 or .A:314 or .A:315 or .A:320 or .A:321 or .A:322 or .A:325 or .A:327 or .A:329 or .A:343 or .A:366 or .A:374 or .A:376 or .A:383 or .A:387 or .A:389 or .A:391 or .A:396; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP254
4.865
ILE256
3.081
TRP258
2.420
THR296
2.478
MET299
2.582
TYR303
2.629
TYR310
2.817
HIS313
2.646
VAL314
4.940
ASP315
2.581
ASP320
2.719
GLY321
4.856
ARG322
2.228
|
|||||
| Ligand Name: D-tyrosine | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 2OG and RaPID-derived silent allosteric cyclic peptide 3C (14-mer) | PDB:6YW1 | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [7] |
| PDB Sequence |
KPLPALKLAL
195 EYIVPCMNKH205 GICVVDDFLG215 KETGQQIGDE225 VRALHDTGKF235 TDGQDIRGDK 255 ITWIEGKEPG265 CETIGLLMSS275 MDDLIRHCNG285 KLGSYKINGR295 TKAMVACYPG 305 NGTGYVRHVD315 NPNGDGRCVT325 CIYYLNKDWD335 AKVSGGILRI345 FPEGKAQFAD 355 IEPKFDRLLF365 FWSDRRNPHE375 VQPAYATRYA385 ITVWYFDADE395 RARAKVKYL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DTY or .DTY2 or .DTY3 or :3DTY;style chemicals stick;color identity;select .A:186 or .A:187 or .A:188 or .A:189; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 2OG and RaPID-derived silent allosteric cyclic peptide 3C (14-mer) | PDB:6YW1 | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [7] |
| PDB Sequence |
KPLPALKLAL
195 EYIVPCMNKH205 GICVVDDFLG215 KETGQQIGDE225 VRALHDTGKF235 TDGQDIRGDK 255 ITWIEGKEPG265 CETIGLLMSS275 MDDLIRHCNG285 KLGSYKINGR295 TKAMVACYPG 305 NGTGYVRHVD315 NPNGDGRCVT325 CIYYLNKDWD335 AKVSGGILRI345 FPEGKAQFAD 355 IEPKFDRLLF365 FWSDRRNPHE375 VQPAYATRYA385 ITVWYFDADE395 RARAKVKYL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .48V or .48V2 or .48V3 or :348V;style chemicals stick;color identity;select .A:212; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide | Ligand Info | |||||
| Structure Description | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide | PDB:6ST3 | ||||
| Method | X-ray diffraction | Resolution | 2.43 Å | Mutation | No | [17] |
| PDB Sequence |
PALKLALEYI
198 VPCMNKHGIC208 VVDDFLGKET218 GQQIGDEVRA228 LHDTGKFTDG238 QLVSQIRGDK 255 ITWIEGKEPG265 CETIGLLMSS275 MDDLIRHCNG285 KLGSYKINGR295 TKAMVACYPG 305 NGTGYVRHVD315 NPNGDGRCVT325 CIYYLNKDWD335 AKVSGGILRI345 FPEGKAQFAD 355 IEPKFDRLLF365 FWSDRRNPHE375 VQPAYATRYA385 ITVWYFDADE395 RARAKVKYLT 405
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LUW or .LUW2 or .LUW3 or :3LUW;style chemicals stick;color identity;select .A:252 or .A:254 or .A:256 or .A:258 or .A:296 or .A:299 or .A:303 or .A:310 or .A:313 or .A:314 or .A:315 or .A:320 or .A:321 or .A:322 or .A:327 or .A:343 or .A:366 or .A:374 or .A:375 or .A:376 or .A:383 or .A:389 or .A:391 or .A:396; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG252
1.511
ASP254
4.253
ILE256
4.854
TRP258
2.880
THR296
2.641
MET299
2.928
TYR303
2.168
TYR310
3.027
HIS313
2.450
VAL314
4.951
ASP315
2.237
ASP320
2.985
|
|||||
| Ligand Name: 2-(Biphenyl-4-Yl)-8-[(1-Methyl-1h-Imidazol-2-Yl)methyl]-2,8-Diazaspiro[4.5]decan-1-One | Ligand Info | |||||
| Structure Description | Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors | PDB:4JZR | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [18] |
| PDB Sequence |
PALKLALEYI
198 VPCMNKHGIC208 VVDDFLGKET218 GQQIGDEVRA228 LHDTGKFTDG238 QLVSDIRGDK 255 ITWIEGKEPG265 CETIGLLMSS275 MDDLIRHCNG285 KLGSYKINGR295 TKAMVACYPG 305 NGTGYVRHVD315 NPNGDGRCVT325 CIYYLNKDWD335 AKVSGGILRI345 FPEGKAQFAD 355 IEPKFDRLLF365 FWSDRRNPHE375 VQPAYATRYA385 ITVWYFDADE395 RARA |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4JR or .4JR2 or .4JR3 or :34JR;style chemicals stick;color identity;select .A:254 or .A:258 or .A:296 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:315 or .A:320 or .A:322 or .A:327 or .A:343 or .A:374 or .A:376 or .A:389 or .A:391 or .A:396; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine | Ligand Info | |||||
| Structure Description | Hypoxia-Inducible Factor (HIF) Prolyl Hydroxylase 2 (PHD2) in Complex with the Carboxamide Analog JNJ43058171 | PDB:6NMQ | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [19] |
| PDB Sequence |
PALKLALEYI
198 VPCMNKHGIC208 VVDDFLGKET218 GQQIGDEVRA228 LHDTGKFTDK255 ITWIEGKEPG 265 CETIGLLMSS275 MDDLIRHCNG285 KLGSYKINGR295 TKAMVACYPG305 NGTGYVRHVD 315 NPNGDGRCVT325 CIYYLNKDWD335 AKVSGGILRI345 FPEGKAQFAD355 IEPKFDRLLF 365 FWSDRRNPHE375 VQPAYATRYA385 ITVWYFD
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KU1 or .KU12 or .KU13 or :3KU1;style chemicals stick;color identity;select .A:254 or .A:256 or .A:299 or .A:301 or .A:303 or .A:310 or .A:313 or .A:315 or .A:327 or .A:329 or .A:343 or .A:374 or .A:376 or .A:383 or .A:385 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-[(5,6-Dichloro-1h-Benzimidazol-2-Yl)carbonyl]glycine | Ligand Info | |||||
| Structure Description | PHD2-R717 with 40787422 | PDB:3OUI | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [15] |
| PDB Sequence |
PALKLALEYI
198 VPCMNKHGIC208 VVDDFLGKET218 GQQIGDEVRA228 LHDTGKFTDG238 QDIRGDKITW 258 IEGKEPGCET268 IGLLMSSMDD278 LIRHCNGKLG288 SYKINGRTKA298 MVACYPGNGT 308 GYVRHVDNPR322 CVTCIYYLNK332 DWDAKVSGGI342 LRIFPEGKAQ352 FADIEPKFDR 362 LLFFWSDRRN372 PHEVQPAYAT382 RYAITVWYFD392
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .42Z or .42Z2 or .42Z3 or :342Z;style chemicals stick;color identity;select .A:198 or .A:199 or .A:202 or .A:203 or .A:252 or .A:254 or .A:256 or .A:258 or .A:280 or .A:283 or .A:284 or .A:286 or .A:288 or .A:289 or .A:290 or .A:292 or .A:299 or .A:303 or .A:310 or .A:313 or .A:315 or .A:324 or .A:327 or .A:329 or .A:343 or .A:365 or .A:367 or .A:374 or .A:376 or .A:383 or .A:385 or .A:389; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE198
4.294
VAL199
3.240
MET202
4.119
ASN203
2.847
ARG252
3.297
ASP254
4.480
ILE256
4.319
TRP258
4.176
ILE280
3.587
CYS283
3.503
ASN284
3.995
LYS286
2.737
GLY288
4.352
SER289
2.698
TYR290
3.699
ILE292
3.797
|
|||||
| Ligand Name: ~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate | Ligand Info | |||||
| Structure Description | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in complex with tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate (IOX4) | PDB:6ZBN | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [1] |
| PDB Sequence |
PALKLALEYI
198 VPCMNKHGIC208 VVDDFLGKET218 GQQIGDEVRA228 LHDGDKITWI259 EGKEPGCETI 269 GLLMSSMDDL279 IRHCNGKLGS289 YKINGRTKAM299 VACYPGNGTG309 YVRHVDNPNG 319 DGRCVTCIYY329 LNKDWDAKVS339 GGILRIFPEG349 KAQFADIEPK359 FDRLLFFWSD 369 RRNPHEVQPA379 YATRYAITVW389 YFDADERARA399 KVKYLTG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QEE or .QEE2 or .QEE3 or :3QEE;style chemicals stick;color identity;select .A:254 or .A:256 or .A:258 or .A:299 or .A:303 or .A:310 or .A:313 or .A:315 or .A:322 or .A:327 or .A:329 or .A:343 or .A:374 or .A:376 or .A:383 or .A:385 or .A:387 or .A:389; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat. ChemMedChem. 2021 Jul 6;16(13):2082-2088. | ||||
| REF 2 | Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia. J Pharmacol Exp Ther. 2022 Oct;383(1):11-24. | ||||
| REF 3 | Crystal structure of HIF prolyl hydroxylase in complex with a biologically active inhibitor | ||||
| REF 4 | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH N-OXALYLGLYCINE (NOG) AND HIF-2 ALPHA CODD (523-542) | ||||
| REF 5 | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2_OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542) | ||||
| REF 6 | Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases. ACS Chem Biol. 2013 Jul 19;8(7):1488-96. | ||||
| REF 7 | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2. Sci Rep. 2020 Dec 15;10(1):21964. | ||||
| REF 8 | Studies on the reaction of nitric oxide with the hypoxia-inducible factor prolyl hydroxylase domain 2 (EGLN1). J Mol Biol. 2011 Jul 8;410(2):268-79. | ||||
| REF 9 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci. 2017 Nov 1;8(11):7651-7668. | ||||
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