Structure of PDB 3st8 Chain A Binding Site BS03 |
| >3st8 Chain A (length=475) Species: 83332 (Mycobacterium tuberculosis H37Rv)
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DTAVLVLAAGPGTRMRSDTPKVLHTLAGRSMLSHVLHAIAKLAPQRLIVV
LGHDHQRIAPLVGELADTLGRTIDVALQDRPLGTGHAVLCGLSALPDDYA
GNVVVTSGDTPLLDADTLADLIATHRAVSAAVTVLTTTLDDPFGYGRILR
TQDHEVMAIVEQTDATPSQREIREVNAGVYAFDIAALRSALSRLSSNNAQ
QELYLTDVIAILRSDGQTVHASHVDDSALVAGVNNRVQLAELASELNRRV
VAAHQLAGVTVVDPATTWIDVDVTIGRDTVIHPGTQLLGRTQIGGRCVVG
PDTTLTDVAVGDGASVVRTHGSSSSIGDGAAVGPFTYLRPGTALGADGKL
GAFVEVKNSTIGTGTKVPHLTYVGDADIGEYSNIGASSVFVNYDGTSKRR
TTVGSHVRTGSDTMFVAPVTIGDGAYTGAGTVVREDVPPGALAVSAGPQR
NIENWVQRKRPGSPAAQASKRASEM |
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| Ligand ID | GP1 |
| InChI | InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1 |
| InChIKey | YMJBYRVFGYXULK-QZABAPFNSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O | | ACDLabs 10.04 | O=P(OC1OC(C(O)C(O)C1N)CO)(O)O | | CACTVS 3.341 | N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P](O)(O)=O | | OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C(O1)OP(=O)(O)O)N)O)O)O |
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| Formula | C6 H14 N O8 P |
| Name | 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
GLUCOSAMINE 1-PHOSPHATE;
1-O-phosphono-alpha-D-glucosamine;
2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose;
2-amino-2-deoxy-1-O-phosphono-D-glucose;
2-amino-2-deoxy-1-O-phosphono-glucose |
| ChEMBL | |
| DrugBank | DB03111 |
| ZINC | ZINC000004097029
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| PDB chain | 3st8 Chain A Residue 499
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| Catalytic site (original residue number in PDB) |
R19 |
| Catalytic site (residue number reindexed from 1) |
R14 |
| Enzyme Commision number |
2.3.1.157: glucosamine-1-phosphate N-acetyltransferase.
2.7.7.23: UDP-N-acetylglucosamine diphosphorylase. |
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