Structure of PDB 4beq Chain A Binding Site BS01

Receptor Information
>4beq Chain A (length=386) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APLHIDTALPDAAQIQQSNSWLEISLGQFQSNIEQFKSHMNANTKICAIM
KADAYGNGIRGLMPTIIAQGIPCVGVASNAEARAVRESGFKGELIRVRSA
SLSEMSSALDLNIEELIGTHQQALDLAELAKQSGKTLKVHIALNDGGMGA
AGIDMTTEAGKKEAVSIATQPSLSVVGIMTHFPNYNADEVRAKLAQFKES
STWLMQQANLKREEITLHVANSYTALNVPEAQLDMVRPGGVLFGDLPTNP
EYPSIVSFKTRVSSLHHLPKDSTVGYDSTFTTSRDSVLANLPVGYSDGYP
RKMGNKAEVLINGQRAKVVGVTSMNTTVVDVTEIKGVLPGQEVVLFGQQQ
KQSIAVSEMENNAELIFPELYTLWGTSNPRFYVKSS
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain4beq Chain A Residue 1350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4beq Structural Basis for the Broad Specificity of a New Family of Amino-Acid Racemases.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		K74 Y78 H204 N244 S245 R260 G262 G263
Binding residue
(residue number reindexed from 1)		K51 Y55 H181 N221 S222 R237 G239 G240
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K74 A173 H204 R260 Y299 S346 N348
Catalytic site (residue number reindexed from 1) K51 A150 H181 R237 Y276 S323 N325
Enzyme Commision number 5.1.1.10: amino-acid racemase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008784 alanine racemase activity
GO:0016853 isomerase activity
GO:0018111 methionine racemase activity
GO:0018113 lysine racemase activity
GO:0030170 pyridoxal phosphate binding
GO:0030378 serine racemase activity
GO:0047661 amino-acid racemase activity
GO:0047679 arginine racemase activity
GO:0050157 ornithine racemase activity
Biological Process
GO:0006522 alanine metabolic process
GO:0030632 D-alanine biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4beq, PDBe:4beq, PDBj:4beq
PDBsum4beq
PubMed24419381
UniProtQ9KSE5|BSR_VIBCH Broad specificity amino-acid racemase (Gene Name=bsrV)

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