Structure of PDB 4cvq Chain B Binding Site BS01

Receptor Information
>4cvq Chain B (length=404) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPIEKSSKLENVCYDIRGPVLKEAKRLEEEGNKVLKLNIGNPAPFGFDAP
DEILVDVIRNLPTAQGYCDSKGLYSARKAIMQHYQARGMRDVTVEDIYIG
NGVSELIVQAMQALLNSGDEMLVPAPDYPLWTAAVSLSSGKAVHYLCDES
SDWFPDLDDIRAKITPRTRGIVIINPNNPTGAVYSKELLMEIVEIARQHN
LIIFADEIYDKILYDDAEHHSIAPLAPDLLTITFNGLSKTYRVAGFRQGW
MVLNGPKKHAKGYIEGLEMLASMRLCANVPAQHAIQTALGGYQSISEFIT
PGGRLYEQRNRAWELINDIPGVSCVKPRGALYMFPKIDAKRFNIHDDQKM
VLDFLLQEKVLLVQGTAFNWPWPDHFRIVTLPRVDDIELSLSKFARFLSG
YHQL
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 chain4cvq Chain B Residue 1240 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cvq Structural analysis and mutant growth properties reveal distinctive enzymatic and cellular roles for the three major L-alanine transaminases of Escherichia coli.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		G103 V104 S105 Y129 D207 I209 Y210 S239 K240 R248
Binding residue
(residue number reindexed from 1)		G102 V103 S104 Y128 D206 I208 Y209 S238 K239 R247
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.2: alanine transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004021 L-alanine:2-oxoglutarate aminotransferase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006523 alanine biosynthetic process
GO:0006974 DNA damage response
GO:0008652 amino acid biosynthetic process
GO:0009058 biosynthetic process
GO:0019272 L-alanine biosynthetic process from pyruvate
GO:0030632 D-alanine biosynthetic process
GO:0046677 response to antibiotic
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:4cvq, PDBe:4cvq, PDBj:4cvq
PDBsum4cvq
PubMed25014014
UniProtP0A959|ALAA_ECOLI Glutamate-pyruvate aminotransferase AlaA (Gene Name=alaA)

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