Target Information
| Target General Information | Top | |||||
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| Target ID |
T12409
(Former ID: TTDR00753)
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| Target Name |
Bacterial Glucosamine-6-phosphate synthase (Bact glmS)
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| Synonyms |
glmS; L-glutamine-D-fructose-6-phosphate amidotransferase; Hexosephosphate aminotransferase; Glucosamine--fructose-6-phosphate aminotransferase; GFAT; D-fructose-6-phosphate amidotransferase
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| Gene Name |
Bact glmS
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| Target Type |
Clinical trial target
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[1] | ||||
| Function |
Catalyzesthe first step in hexosamine metabolism, converting fructose-6P into glucosamine-6P using glutamine as a nitrogen source.
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| BioChemical Class |
Transaminase
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| UniProt ID | ||||||
| EC Number |
EC 2.6.1.16
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| Sequence |
MCGIVGAIAQRDVAEILLEGLRRLEYRGYDSAGLAVVDAEGHMTRLRRLGKVQMLAQAAE
EHPLHGGTGIAHTRWATHGEPSEVNAHPHVSEHIVVVHNGIIENHEPLREELKARGYTFV SETDTEVIAHLVNWELKQGGTLREAVLRAIPQLRGAYGTVIMDSRHPDTLLAARSGSPLV IGLGMGENFIASDQLALLPVTRRFIFLEEGDIAEITRRSVNIFDKTGAEVKRQDIESNLQ YDAGDKGIYRHYMQKEIYEQPNAIKNTLTGRISHGQVDLSELGPNADELLSKVEHIQILA CGTSYNSGMVSRYWFESLAGIPCDVEIASEFRYRKSAVRRNSLMITLSQSGETADTLAGL RLSKELGYLGSLAICNVPGSSLVRESDLALMTNAGTEIGVASTKAFTTQLTVLLMLVAKL SRLKGLDASIEHDIVHGLQALPSRIEQMLSQDKRIEALAEDFSDKHHALFLGRGDQYPIA LEGALKLKEISYIHAEAYAAGELKHGPLALIDADMPVIVVAPNNELLEKLKSNIEEVRAR GGQLYVFADQDAGFVSSDNMHIIEMPHVEEVIAPIFYTVPLQLLAYHVALIKGTDVDQPR NLAKSVTVE Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: Fructose-6-phosphate | Ligand Info | |||||
| Structure Description | E.COLI GLUCOSAMINE-6P SYNTHASE IN COMPLEX WITH FRUCTOSE-6P | PDB:4AMV | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [2] |
| PDB Sequence |
CGIVGAIAQR
10 DVAEILLEGL20 RRLEYRGYDS30 AGLAVVDAEG40 HMTRLRRLGK50 VQMLAQAAEE 60 HPLHGGTGIA70 HTRWATHGEP80 SEVNAHPHVS90 EHIVVVHNGI100 IENHEPLREE 110 LKARGYTFVS120 ETDTEVIAHL130 VNWELKQGGT140 LREAVLRAIP150 QLRGAYGTVI 160 MDSRHPDTLL170 AARSGSPLVI180 GLGMGENFIA190 SDQLALLPVT200 RRFIFLEEGD 210 IAEITRRSVN220 IFDKTGAEVK230 RQDIESNLQY240 DAGDKGIYRH250 YMQKEIYEQP 260 NAIKNTLTGR270 ISHGQVDLSE280 LGPNADELLS290 KVEHIQILAC300 GTSYNSGMVS 310 RYWFESLAGI320 PCDVEIASEF330 RYRKSAVRRN340 SLMITLSQSG350 ETADTLAGLR 360 LSKELGYLGS370 LAICNVPGSS380 LVRESDLALM390 TNAGTEIGVA400 STKAFTTQLT 410 VLLMLVAKLS420 KLKGLDASIE430 HDIVHGLQAL440 PSRIEQMLSQ450 DKRIEALAED 460 FSDKHHALFL470 GRGDQYPIAL480 EGALKLKEIS490 YIHAEAYAAG500 ELKHGPLALI 510 DADMPVIVVA520 PNNELLEKLK530 SNIEEVRARG540 GQLYVFADQD550 AGFVSSDNMH 560 IIEMPHVEEV570 IAPIFYTVPL580 QLLAYHVALI590 KGTDVDQPRN600 LAKSVTVE |
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CYS300
3.431
GLY301
3.163
THR302
3.010
SER303
2.760
LEU346
4.329
SER347
2.767
GLN348
2.807
SER349
2.635
GLY350
4.436
THR352
2.488
THR355
4.685
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| Ligand Name: Glucosamine 6-phosphate | Ligand Info | |||||
| Structure Description | ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH GLUCOSAMINE 6-PHOSPHATE | PDB:1MOQ | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [3] |
| PDB Sequence |
GDKGIYRHYM
252 QKEIYEQPNA262 IKNTLTGRIS272 HGQVDLSELG282 PNADELLSKV292 EHIQILACGT 302 SYNSGMVSRY312 WFESLAGIPC322 DVEIASEFRY332 RKSAVRRNSL342 MITLSQSGET 352 ADTLAGLRLS362 KELGYLGSLA372 ICNVPGSSLV382 RESDLALMTN392 AGTEIGVAST 402 KAFTTQLTVL412 LMLVAKLSRL422 KGLDASIEHD432 IVHGLQALPS442 RIEQMLSQDK 452 RIEALAEDFS462 DKHHALFLGR472 GDQYPIALEG482 ALKLKEISYI492 HAEAYAAGEL 502 KHGPLALIDA512 DMPVIVVAPN522 NELLEKLKSN532 IEEVRARGGQ542 LYVFADQDAG 552 FVSSDNMHII562 EMPHVEEVIA572 PIFYTVPLQL582 LAYHVALIKG592 TDVDQPRNLA 602 KSVTVE
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CYS300
3.500
GLY301
3.734
THR302
2.823
SER303
2.658
LEU346
4.280
SER347
2.773
GLN348
2.807
SER349
2.740
GLY350
4.499
THR352
2.726
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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Human Similarity Proteins
of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs
(Brief Bioinform, 21: 649-662, 2020).
Human Similarity Proteins
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There is no similarity protein (E value < 0.005) for this target
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| Drug Property Profile of Target | Top | |
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| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| References | Top | |||||
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| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||||
| REF 2 | Glutamine binding opens the ammonia channel and activates glucosamine-6P synthase. J Biol Chem. 2006 Feb 17;281(7):4404-12. | |||||
| REF 3 | Involvement of the C terminus in intramolecular nitrogen channeling in glucosamine 6-phosphate synthase: evidence from a 1.6 A crystal structure of the isomerase domain. Structure. 1998 Aug 15;6(8):1047-55. | |||||
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