Structure of PDB 2bkv Chain B Binding Site BS01

Receptor Information
>2bkv Chain B (length=242) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVMECQTYEELSQIAARITADTIKEKPDAVLGLATGGTPEGTYRQLIRL
HQTENLSFQNITTVNLDEYAGLSSDDPNSYHFYMNDRFFQHIDSKPSRHF
IPNGNADDLEAECRRYEQLVDSLGDTDIQLLGIGRNGHIGFNEPGTSFKS
RTHVVTLNEQTRQANARYFPSIDSVPKKALTMGIQTILSSKRILLLISGK
SKAEAVRKLLEGNISEDFPASALHLHSDVTVLIDREAASLRP
Ligand information
Ligand IDPGA
InChIInChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(=O)O
FormulaC2 H5 O6 P
Name2-PHOSPHOGLYCOLIC ACID
ChEMBLCHEMBL47181
DrugBankDB02726
ZINCZINC000003869735
PDB chain2bkv Chain B Residue 1243 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bkv Structure and Kinetics of a Monomeric Glucosamine 6-Phosphate Deaminase: Missing Link of the Nagb Superfamily
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G37 G38 T39 H138 K202
Binding residue
(residue number reindexed from 1)		G37 G38 T39 H138 K202
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D67 N136 H138 E143
Catalytic site (residue number reindexed from 1) D67 N136 H138 E143
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:2bkv, PDBe:2bkv, PDBj:2bkv
PDBsum2bkv
PubMed15755726
UniProtO35000|NAGB_BACSU Glucosamine-6-phosphate deaminase 1 (Gene Name=nagB)

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