Structure of PDB 5hj5 Chain B Binding Site BS02

Receptor Information
>5hj5 Chain B (length=267) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLIPLKAAAQVGKWAAAHIVKRINEFQPTAERPFVLGLPTGGTPLATYK
ALIEMHKAGEVSFKHVVTFNMDEYVGLAADHPESYRSFMYNNFFNHIDIQ
EENINLLNGNTDDHEAECKRYEDKIKSYGKINLFMGGVGNDGHIAFNEPA
SSLSSRTRIKTLTEDTRIANSRFFDGDINQVPKYALTIGVGTLLDAQEIM
ILVTGHNKALALQAAVEGSVNHLWTVSALQLHPKAVIVCDEPSTQELKVK
TVKYFTELEAKNIVGFR
Ligand information
Ligand IDBG6
InChIInChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyNBSCHQHZLSJFNQ-VFUOTHLCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-O-phosphono-beta-D-glucopyranose;
BETA-D-GLUCOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-glucose;
6-O-phosphono-D-glucose;
6-O-phosphono-glucose
ChEMBLCHEMBL257975
DrugBankDB04122
ZINCZINC000003875374
PDB chain5hj5 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hj5 Crystal structure of tertiary complex of glucosamine-6-phosphate deaminase from Vibrio cholerae with BETA-D-GLUCOSE-6-PHOSPHATE and FRUCTOSE -6-PHOSPHATE
Resolution1.7 Å
Binding residue
(original residue number in PDB)		M1 R2
Binding residue
(residue number reindexed from 1)		M1 R2
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D72 D141 H143 E148
Catalytic site (residue number reindexed from 1) D72 D141 H143 E148
Enzyme Commision number 3.5.99.6: glucosamine-6-phosphate deaminase.
Gene Ontology
Molecular Function
GO:0004342 glucosamine-6-phosphate deaminase activity
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006043 glucosamine catabolic process
GO:0006044 N-acetylglucosamine metabolic process
GO:0006046 N-acetylglucosamine catabolic process
GO:0019262 N-acetylneuraminate catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5hj5, PDBe:5hj5, PDBj:5hj5
PDBsum5hj5
PubMed
UniProtQ9KKS5|NAGB_VIBCH Glucosamine-6-phosphate deaminase (Gene Name=nagB)

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