Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T91940 | Target Info | |||
| Target Name | NAD-dependent deacetylase sirtuin-5 (SIRT5) | ||||
| Synonyms | SIR2L5; SIR2-like protein 5; Regulatory protein SIR2 homolog 5 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | SIRT5 | ||||
| Biochemical Class | Sirtuin family. Class III subfamily | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 7-amino-4-methyl-chromen-2-one | Ligand Info | |||||
| Structure Description | Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide | PDB:5BWL | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [1] |
| PDB Sequence |
PSSSMADFRK
45 FFAKAKHIVI55 ISGAGVSAES65 GVPTFRGAGG75 YWRKWQAQDL85 ATPLAFAHNP 95 SRVWEFYHYR105 REVMGSKEPN115 AGHRAIAECE125 TRLGKQGRRV135 VVITQNIDEL 145 HRKAGTKNLL155 EIHGSLFKTR165 CTSCGVVAEN175 YKSPICPALS185 GKGAPEPGTQ 195 DASIPVEKLP205 RCEEAGCGGL215 LRPHVVWFGE225 NLDPAILEEV235 DRELAHCDLC 245 LVVGTSSVVY255 PAAMFAPQVA265 ARGVPVAEFN275 TETTPATNRF285 RFHFQGPCGT 295 TLPEALA
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Nicotinamide-Adenine-Dinucleotide | Ligand Info | |||||
| Structure Description | Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase | PDB:3RIY | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [2] |
| PDB Sequence |
SFTARPSSSM
40 ADFRKFFAKA50 KHIVIISGAG60 VSAESGVPTF70 RGAGGYWRKW80 QAQDLATPLA 90 FAHNPSRVWE100 FYHYRREVMG110 SKEPNAGHRA120 IAECETRLGK130 QGRRVVVITQ 140 NIDELHRKAG150 TKNLLEIHGS160 LFKTRCTSCG170 VVAENYKSPI180 CPALSGKGAP 190 EPGTQDASIP200 VEKLPRCEEA210 GCGGLLRPHV220 VWFGENLDPA230 ILEEVDRELA 240 HCDLCLVVGT250 SSVVYPAAMF260 APQVAARGVP270 VAEFNTETTP280 ATNRFRFHFQ 290 GPCGTTLPEA300 LA
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GLY58
3.829
ALA59
2.924
GLY60
3.186
SER62
3.808
ALA63
3.830
GLU64
2.948
VAL67
3.616
PRO68
3.412
THR69
3.272
PHE70
2.830
ARG71
3.439
ARG105
4.222
MET109
4.829
GLN140
2.956
ASN141
2.873
ILE142
3.248
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| Ligand Name: Glutarate | Ligand Info | |||||
| Structure Description | Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF | PDB:6LJK | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [3] |
| PDB Sequence |
ARPSSSMADF
43 RKFFAKAKHI53 VIISGAGVSA63 ESGVPTFRGA73 GGYWRKWQAQ83 DLATPLAFAH 93 NPSRVWEFYH103 YRREVMGSKE113 PNAGHRAIAE123 CETRLGKQGR133 RVVVITQNID 143 ELHRKAGTKN153 LLEIHGSLFK163 TRCTSCGVVA173 ENYKSPICPA183 LSGKGAPEPG 193 TQDASIPVEK203 LPRCEEAGCG213 GLLRPHVVWF223 GENLDPAILE233 EVDRELAHCD 243 LCLVVGTSSV253 VYPAAMFAPQ263 VAARGVPVAE273 FNTETTPATN283 RFRFHFQGPC 293 GTTLPEALA
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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 .GUA or .GUA2 or .GUA3 or :3GUA;style chemicals stick;color identity;select .A:69 or .A:71 or .A:82 or .A:86 or .A:101 or .A:102 or .A:105 or .A:140 or .A:141 or .A:142 or .A:158 or .A:220 or .A:221 or .A:222 or .A:223 or .A:254; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Meta-Nitro-Tyrosine | Ligand Info | |||||
| Structure Description | Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF | PDB:6LJK | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [3] |
| PDB Sequence |
ARPSSSMADF
43 RKFFAKAKHI53 VIISGAGVSA63 ESGVPTFRGA73 GGYWRKWQAQ83 DLATPLAFAH 93 NPSRVWEFYH103 YRREVMGSKE113 PNAGHRAIAE123 CETRLGKQGR133 RVVVITQNID 143 ELHRKAGTKN153 LLEIHGSLFK163 TRCTSCGVVA173 ENYKSPICPA183 LSGKGAPEPG 193 TQDASIPVEK203 LPRCEEAGCG213 GLLRPHVVWF223 GENLDPAILE233 EVDRELAHCD 243 LCLVVGTSSV253 VYPAAMFAPQ263 VAARGVPVAE273 FNTETTPATN283 RFRFHFQGPC 293 GTTLPEALA
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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 .NIY or .NIY2 or .NIY3 or :3NIY;style chemicals stick;color identity;select .A:71 or .A:72 or .A:82 or .A:83 or .A:223 or .A:251 or .A:253 or .A:254 or .A:255; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Adenosine-5-diphosphoribose | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Sirtuin homolog 5 | PDB:2B4Y | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [4] |
| PDB Sequence |
PSSSADFRKF
46 FAKAKHIVII56 SGAGVSAESG66 VGYWRKWQAQ83 DLATPLAFAH93 NPSRVWEFYH 103 YRREVGSKEP114 NAGHRAIAEC124 ETRLGKQGRR134 VVVITQNIDE144 LHRKAGTKNL 154 LEIHGSLFKT164 RCTSCGVVAE174 NYKSPICPAL184 SGKGAPEPGT194 QDASIPVEKL 204 PRCEEAGCGG214 LLRPHVVWFG224 ENLDPAILEE234 VDRELAHCDL244 CLVVGTSSVV 254 YPAAFAPQVA265 ARGVPVAEFN275 TETTPATNRF285 RFHFQGPCGT295 TLPEALA |
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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 .APR or .APR2 or .APR3 or :3APR;style chemicals stick;color identity;select .A:58 or .A:59 or .A:60 or .A:63 or .A:64 or .A:140 or .A:141 or .A:158 or .A:223 or .A:249 or .A:250 or .A:251 or .A:252 or .A:254 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:291 or .A:292 or .A:293; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY58
3.189
ALA59
2.848
GLY60
3.303
ALA63
3.676
GLU64
3.126
GLN140
3.314
ASN141
4.231
HIS158
3.163
PHE223
4.959
GLY249
3.206
THR250
2.716
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| Ligand Name: Carba-Nicotinamide-Adenine-Dinucleotide | Ligand Info | |||||
| Structure Description | Human SIRT5 bound to Succ-IDH2 and Carba-NAD | PDB:4G1C | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [5] |
| PDB Sequence |
PSSSMADFRK
45 FFAKAKHIVI55 ISGAGVSAES65 GVPTFRGAGG75 YWRKWQAQDL85 ATPLAFAHNP 95 SRVWEFYHYR105 REVMGSKEPN115 AGHRAIAECE125 TRLGKQGRRV135 VVITQNIDEL 145 HRKAGTKNLL155 EIHGSLFKTR165 CTSCGVVAEN175 YKSPICPALS185 GKGAPEPGTQ 195 DASIPVEKLP205 RCEEAGCGGL215 LRPHVVWFGE225 NLDPAILEEV235 DRELAHCDLC 245 LVVGTSSVVY255 PAAMFAPQVA265 ARGVPVAEFN275 TETTPATNRF285 RFHFQGPCGT 295 TLPEALA
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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 .CNA or .CNA2 or .CNA3 or :3CNA;style chemicals stick;color identity;select .A:58 or .A:59 or .A:60 or .A:61 or .A:62 or .A:63 or .A:64 or .A:67 or .A:68 or .A:69 or .A:70 or .A:71 or .A:105 or .A:140 or .A:141 or .A:142 or .A:143 or .A:158 or .A:223 or .A:249 or .A:250 or .A:251 or .A:252 or .A:254 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:291 or .A:292 or .A:293 or .A:294; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY58
3.711
ALA59
2.721
GLY60
3.018
VAL61
4.943
SER62
3.886
ALA63
3.595
GLU64
3.043
VAL67
3.676
PRO68
3.497
THR69
3.150
PHE70
2.757
ARG71
3.617
ARG105
3.963
GLN140
3.044
ASN141
3.082
ILE142
3.050
ASP143
2.790
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| Ligand Name: N6-Succinyllysine | Ligand Info | |||||
| Structure Description | Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide | PDB:5BWL | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [1] |
| PDB Sequence |
PSSSMADFRK
45 FFAKAKHIVI55 ISGAGVSAES65 GVPTFRGAGG75 YWRKWQAQDL85 ATPLAFAHNP 95 SRVWEFYHYR105 REVMGSKEPN115 AGHRAIAECE125 TRLGKQGRRV135 VVITQNIDEL 145 HRKAGTKNLL155 EIHGSLFKTR165 CTSCGVVAEN175 YKSPICPALS185 GKGAPEPGTQ 195 DASIPVEKLP205 RCEEAGCGGL215 LRPHVVWFGE225 NLDPAILEEV235 DRELAHCDLC 245 LVVGTSSVVY255 PAAMFAPQVA265 ARGVPVAEFN275 TETTPATNRF285 RFHFQGPCGT 295 TLPEALA
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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 .SLL or .SLL2 or .SLL3 or :3SLL;style chemicals stick;color identity;select .A:71 or .A:82 or .A:86 or .A:101 or .A:102 or .A:105 or .A:142 or .A:158 or .A:220 or .A:221 or .A:222 or .A:223 or .A:224 or .A:225 or .A:226 or .A:227 or .A:255; 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: Benzyl chloroformate | Ligand Info | |||||
| Structure Description | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | PDB:5XHS | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [6] |
| PDB Sequence |
PSSSMADFRK
45 FFAKAKHIVI55 ISGAGVSAES65 GVPTFRGAGG75 YWRKWQAQDL85 ATPLAFAHNP 95 SRVWEFYHYR105 REVMGSKEPN115 AGHRAIAECE125 TRLGKQGRRV135 VVITQNIDEL 145 HRKAGTKNLL155 EIHGSLFKTR165 CTSCGVVAEN175 YKSPICPALS185 GKGAPEPGTQ 195 DASIPVEKLP205 RCEEAGCGGL215 LRPHVVWFGE225 NLDPAILEEV235 DRELAHCDLC 245 LVVGTSSVVY255 PAAMFAPQVA265 ARGVPVAEFN275 TETTFRFHFQ290 GPCGTTLPEA 300 LA
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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 .PHQ or .PHQ2 or .PHQ3 or :3PHQ;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,3-Butanediol | Ligand Info | |||||
| Structure Description | Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29 | PDB:6EQS | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [7] |
| PDB Sequence |
ARPSSSMADF
43 RKFFAKAKHI53 VIISGAGVSA63 ESGVPTFRGA73 GGYWRKWQAQ83 DLATPLAFAH 93 NPSRVWEFYH103 YRREVMGSKE113 PNAGHRAIAE123 CETRLGKQGR133 RVVVITQNID 143 ELHRKAGTKN153 LLEIHGSLFK163 TRCTSCGVVA173 ENYKSPICPA183 LSGKGAPEPG 193 TQDASIPVEK203 LPRCEEAGCG213 GLLRPHVVWF223 GENLDPAILE233 EVDRELAHCD 243 LCLVVGTSSV253 VYPAAMFAPQ263 VAARGVPVAE273 FNTETTPATN283 RFRFHFQGPC 293 GTTLPEALA
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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 .BU2 or .BU22 or .BU23 or :3BU2;style chemicals stick;color identity;select .A:89 or .A:180 or .A:181 or .A:182 or .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid | Ligand Info | |||||
| Structure Description | Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29 | PDB:6EQS | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [7] |
| PDB Sequence |
ARPSSSMADF
43 RKFFAKAKHI53 VIISGAGVSA63 ESGVPTFRGA73 GGYWRKWQAQ83 DLATPLAFAH 93 NPSRVWEFYH103 YRREVMGSKE113 PNAGHRAIAE123 CETRLGKQGR133 RVVVITQNID 143 ELHRKAGTKN153 LLEIHGSLFK163 TRCTSCGVVA173 ENYKSPICPA183 LSGKGAPEPG 193 TQDASIPVEK203 LPRCEEAGCG213 GLLRPHVVWF223 GENLDPAILE233 EVDRELAHCD 243 LCLVVGTSSV253 VYPAAMFAPQ263 VAARGVPVAE273 FNTETTPATN283 RFRFHFQGPC 293 GTTLPEALA
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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 .BV8 or .BV82 or .BV83 or :3BV8;style chemicals stick;color identity;select .A:58 or .A:59 or .A:60 or .A:63 or .A:64 or .A:69 or .A:70 or .A:71 or .A:83 or .A:86 or .A:101 or .A:102 or .A:105 or .A:140 or .A:141 or .A:142 or .A:158 or .A:220 or .A:221 or .A:222 or .A:223 or .A:224 or .A:225 or .A:226 or .A:227 or .A:249 or .A:250 or .A:251 or .A:252 or .A:253 or .A:254 or .A:255 or .A:256 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:291 or .A:292 or .A:293; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY58
3.415
ALA59
2.821
GLY60
3.179
ALA63
3.737
GLU64
2.991
THR69
3.354
PHE70
2.866
ARG71
2.874
GLN83
3.806
ALA86
3.749
PHE101
4.805
TYR102
2.512
ARG105
2.677
GLN140
2.691
ASN141
4.186
ILE142
3.575
HIS158
2.920
VAL220
3.987
VAL221
2.698
TRP222
3.745
PHE223
3.442
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| Ligand Name: N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Sirt5 in complex with Fluor-de-Lys peptide and resveratrol | PDB:4HDA | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [8] |
| PDB Sequence |
RPSSSMADFR
44 KFFAKAKHIV54 IISGAGVSAE64 SGVPTFRGAG74 GYWRKWQAQD84 LATPLAFAHN 94 PSRVWEFYHY104 RREVMGSKEP114 NAGHRAIAEC124 ETRLGKQGRR134 VVVITQNIDE 144 LHRKAGTKNL154 LEIHGSLFKT164 RCTSCGVVAE174 NYKSPICPAL184 SGKGAPEPGT 194 QDASIPVEKL204 PRCEEAGCGG214 LLRPHVVWFG224 ENLDPAILEE234 VDRELAHCDL 244 CLVVGTSSVV254 YPAAMFAPQV264 AARGVPVAEF274 NTETTPATNR284 FRFHFQGPCG 294 TTLPEAL
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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 .FDL or .FDL2 or .FDL3 or :3FDL;style chemicals stick;color identity;select .A:226 or .A:259; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[(2R,3aR,5R,6R,6aR)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,6-dihydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid | Ligand Info | |||||
| Structure Description | The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5 | PDB:4F56 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [9] |
| PDB Sequence |
PSSSMADFRK
45 FFAKAKHIVI55 ISGAGVSAES65 GVPTFRGAGG75 YWRKWQAQDL85 ATPLAFAHNP 95 SRVWEFYHYR105 REVMGSKEPN115 AGHRAIAECE125 TRLGKQGRRV135 VVITQNIDEL 145 HRKAGTKNLL155 EIHGSLFKTR165 CTSCGVVAEN175 YKSPICPALS185 GKGAPEPGTQ 195 DASIPVEKLP205 RCEEAGCGGL215 LRPHVVWFGE225 NLDPAILEEV235 DRELAHCDLC 245 LVVGTSSVVY255 PAAMFAPQVA265 ARGVPVAEFN275 TETTPATNRF285 RFHFQGPCGT 295 TLPEALA
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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 .CGK or .CGK2 or .CGK3 or :3CGK;style chemicals stick;color identity;select .A:58 or .A:59 or .A:60 or .A:63 or .A:64 or .A:69 or .A:70 or .A:71 or .A:72 or .A:82 or .A:86 or .A:101 or .A:102 or .A:105 or .A:140 or .A:141 or .A:142 or .A:158 or .A:220 or .A:221 or .A:223 or .A:249 or .A:250 or .A:251 or .A:252 or .A:253 or .A:254 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:291 or .A:292 or .A:293; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY58
2.986
ALA59
2.711
GLY60
3.267
ALA63
3.625
GLU64
2.971
THR69
3.304
PHE70
2.779
ARG71
2.749
GLY72
4.565
ALA82
4.892
ALA86
3.732
PHE101
4.844
TYR102
2.661
ARG105
2.696
GLN140
2.904
ASN141
4.142
ILE142
3.399
HIS158
2.807
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| Ligand Name: Anthranilic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF | PDB:6LJK | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [3] |
| PDB Sequence |
ARPSSSMADF
43 RKFFAKAKHI53 VIISGAGVSA63 ESGVPTFRGA73 GGYWRKWQAQ83 DLATPLAFAH 93 NPSRVWEFYH103 YRREVMGSKE113 PNAGHRAIAE123 CETRLGKQGR133 RVVVITQNID 143 ELHRKAGTKN153 LLEIHGSLFK163 TRCTSCGVVA173 ENYKSPICPA183 LSGKGAPEPG 193 TQDASIPVEK203 LPRCEEAGCG213 GLLRPHVVWF223 GENLDPAILE233 EVDRELAHCD 243 LCLVVGTSSV253 VYPAAMFAPQ263 VAARGVPVAE273 FNTETTPATN283 RFRFHFQGPC 293 GTTLPEALA
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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 .BE2 or .BE22 or .BE23 or :3BE2;style chemicals stick;color identity;select .A:259 or .A:263; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Selenomethionine | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Sirtuin homolog 5 | PDB:2B4Y | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [4] |
| PDB Sequence |
PSSSADFRKF
46 FAKAKHIVII56 SGAGVSAESG66 VGYWRKWQAQ83 DLATPLAFAH93 NPSRVWEFYH 103 YRREVGSKEP114 NAGHRAIAEC124 ETRLGKQGRR134 VVVITQNIDE144 LHRKAGTKNL 154 LEIHGSLFKT164 RCTSCGVVAE174 NYKSPICPAL184 SGKGAPEPGT194 QDASIPVEKL 204 PRCEEAGCGG214 LLRPHVVWFG224 ENLDPAILEE234 VDRELAHCDL244 CLVVGTSSVV 254 YPAAFAPQVA265 ARGVPVAEFN275 TETTPATNRF285 RFHFQGPCGT295 TLPEALA |
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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 .MSE or .MSE2 or .MSE3 or :3MSE;style chemicals stick;color identity;select .A:38 or .A:39 or .A:41 or .A:42 or .A:43 or .A:44 or .A:67 or .A:105 or .A:106 or .A:107 or .A:108 or .A:110 or .A:111 or .A:112 or .A:143 or .A:145 or .A:148 or .A:161 or .A:162 or .A:252 or .A:255 or .A:256 or .A:257 or .A:258 or .A:260 or .A:261 or .A:262 or .A:263 or .A:274 or .A:284 or .A:289 or .A:296 or .A:299 or .A:300; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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SER38
3.164
SER39
1.327
ALA41
1.343
ASP42
3.249
PHE43
3.216
ARG44
2.812
VAL67
3.376
ARG105
3.112
ARG106
3.425
GLU107
3.266
VAL108
1.333
GLY110
1.327
SER111
2.862
LYS112
2.720
ASP143
3.853
LEU145
4.849
LYS148
3.472
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide | ||||
| REF 2 | Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase. Science. 2011 Nov 11;334(6057):806-9. | ||||
| REF 3 | Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery. Eur J Med Chem. 2020 Apr 15;192:112201. | ||||
| REF 4 | Crystal Structure of Human Sirtuin homolog 5 in complex with NAD | ||||
| REF 5 | Synthesis of carba-NAD and the structures of its ternary complexes with SIRT3 and SIRT5. J Org Chem. 2012 Sep 7;77(17):7319-29. | ||||
| REF 6 | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design. doi:10.1039/C7RA05824A. | ||||
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