Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12409 | Target Info | |||
| Target Name | Bacterial Glucosamine-6-phosphate synthase (Bact glmS) | ||||
| Synonyms | glmS; L-glutamine-D-fructose-6-phosphate amidotransferase; Hexosephosphate aminotransferase; Glucosamine--fructose-6-phosphate aminotransferase; GFAT; D-fructose-6-phosphate amidotransferase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | Bact glmS | ||||
| Biochemical Class | Transaminase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | D-Glucose 6-phosphate | Ligand Info | |||
| Canonical SMILES | C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O | ||||
| InChI | 1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 | ||||
| InChIKey | VFRROHXSMXFLSN-SLPGGIOYSA-N | ||||
| PubChem Compound ID | 439958 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2J6H E. coli glucosamine-6-P synthase in complex with glucose-6P and 5-oxo- L-norleucine | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [1] |
| 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 RLKGLDASIE430 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
3.516
GLY301
3.570
THR302
3.099
SER303
2.690
LEU346
4.312
SER347
2.859
GLN348
2.833
SER349
2.780
GLY350
4.512
THR352
2.505
THR355
4.529
|
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| PDB ID: 3OOJ C1A mutant of E. coli GlmS in complex with glucose-6P and glutamate | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
AGIVGAIAQR
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 RLKGLDASIE430 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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|
|
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| PDB ID: 1JXA GLUCOSAMINE 6-PHOSPHATE SYNTHASE WITH GLUCOSE 6-PHOSPHATE | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [3] |
| 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 |
|||||
|
|
CYS300
3.648
GLY301
3.627
THR302
2.741
SER303
2.866
LEU346
4.566
SER347
2.143
GLN348
3.366
SER349
3.167
GLY350
4.839
THR352
2.505
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Glutamine binding opens the ammonia channel and activates glucosamine-6P synthase. J Biol Chem. 2006 Feb 17;281(7):4404-12. | ||||
| REF 2 | C1A mutant of E. coli GlmS in complex with glucose-6P and glutamate | ||||
| REF 3 | Channeling of ammonia in glucosamine-6-phosphate synthase. J Mol Biol. 2001 Nov 9;313(5):1093-102. | ||||
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