Structure of PDB 1pmo Chain A Binding Site BS01

Receptor Information
>1pmo Chain A (length=455) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELLDSRFGAKSISTIAESKRFPLHEMRDDVAFQIINDELYLDGNARQNLA
TFCQTWDDENVHKLMDLSINKNWIDKEEYPQSAAIDLRCVNMVADLWHAP
APKNGQAVGTNTIGSSEACMLGGMAMKWRWRKRMEAAGKPTDKPNLVCGP
VQICWHKFARYWDVELREIPMRPGQLFMDPKRMIEACDENTIGVVPTFGV
TYTGNYEFPQPLHDALDKFQADTGIDIDMHIDAASGGFLAPFVAPDIVWD
FRLPRVKSISASGHKFGLAPLGCGWVIWRDEEALPQELVFNVDYLGGQIG
TFAINFSRPAGQVIAQYYEFLRLGREGYTKVQNASYQVAAYLADEIAKLG
PYEFICTGRPDEGIPAVCFKLKDGEDPGYTLYDLSERLRLRGWQVPAFTL
GGEATDIVVMRIMCRRGFEMDFAELLLEDYKASLKYLSDHPKLQGIAQQN
SFKHT
Ligand information
Ligand IDPLR
InChIInChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
InChIKeyRBCOYOYDYNXAFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C)C
OpenEye OEToolkits 1.5.0Cc1c(cnc(c1O)C)COP(=O)(O)O
FormulaC8 H12 N O5 P
Name(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
4'-DEOXYPYRIDOXINE PHOSPHATE
ChEMBLCHEMBL1235333
DrugBank
ZINCZINC000001656021
PDB chain1pmo Chain A Residue 1500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pmo Crystal structure and functional analysis of escherichia coli glutamate decarboxylase
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S126 S127 Q163 T212 D243 A245 H275 K276 T466
Binding residue
(residue number reindexed from 1)		S115 S116 Q152 T201 D232 A234 H264 K265 T455
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.15: glutamate decarboxylase.
Gene Ontology
Molecular Function
GO:0004351 glutamate decarboxylase activity
GO:0005515 protein binding
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006536 glutamate metabolic process
GO:0006538 glutamate catabolic process
GO:0019752 carboxylic acid metabolic process
GO:0051454 intracellular pH elevation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1pmo, PDBe:1pmo, PDBj:1pmo
PDBsum1pmo
PubMed12912902
UniProtP69910|DCEB_ECOLI Glutamate decarboxylase beta (Gene Name=gadB)

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