Structure of PDB 6j2v Chain B Binding Site BS01

Receptor Information
>6j2v Chain B (length=440) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSYRIPQSRTVAEQVPGPKSKALDERRQAAVARALAPGLPGYVVDADGGI
LADADGNRFIDLASGIAVTTVGGSNAAVAKAVGAAAARFTHTCFMVSPYE
TYVAMAERLNALTPGDHDKKSALFNSGAEAVENAVKVARAYTGKGAVVVF
DNAYHGRTNLTMAMTAKNRPYKSGFGPLAADVYRAPMSYPLRDGLSGPEA
AERAISVIESQVGAENLACVVIEPIQGEGGFIVPAPGFLAAISTWCREND
VVFIADEIQSGFLRTGDWFASDAEGVIPDVITTAKGIAGGMPLSAVTGRA
EIMDAPGPGALGGTYGGNPVACAAALAAIEVMEQADLKTRAQEIETIIRD
EFAQLSAFPEVAEIRGRGAMMAIELIDATGRPNAALTAAVAARAKAEGVL
LLTCGTDGNVIRLLPPLVIAEDTLRDGLQVLVAALERETA
Ligand information
Ligand IDPLZ
InChIInChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)
InChIKeyDOHWOHSLOVXAFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNCCCC(O)=O)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C
FormulaC12 H19 N2 O7 P
Name4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
ChEMBL
DrugBank
ZINCZINC000013521244
PDB chain6j2v Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6j2v Crystal structure of gamma-aminobutyrate aminotransferase in complex with a PLP-GABA adduct from Corynebacterium glutamicum.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		M98 G316 T317
Binding residue
(residue number reindexed from 1)		M95 G313 T314
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L38 Y157 D259 K288
Catalytic site (residue number reindexed from 1) L35 Y154 D256 K285
Enzyme Commision number 2.6.1.19: 4-aminobutyrate--2-oxoglutarate transaminase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0034386 4-aminobutyrate:2-oxoglutarate transaminase activity
GO:0042802 identical protein binding
Biological Process
GO:0009448 gamma-aminobutyric acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6j2v, PDBe:6j2v, PDBj:6j2v
PDBsum6j2v
PubMed31072617
UniProtQ8NT35

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