Structure of PDB 4atq Chain C Binding Site BS01

Receptor Information
>4atq Chain C (length=442) Species: 290340 (Paenarthrobacter aurescens TC1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYRIEQKRNINGAFPGPKSQALAERRSAVVAAGVASGVPVYVEDADGGII
RDVDGNSFIDLGSGIAVTSVGASDPAVVAAVQEAAAHFTHTCFMVTPYEG
YVAVTEQLNRLTPGDHAKRTVLFNSGAEAVENAVKVARLATGRDAVVAFD
HAYHGRTNLTMALTAKAMPYKTNFGPFAPEVYRMPMSYPFREENPEITGA
EAAKRAITMIEKQIGGDQVAAIIIEPIQGEGGFIVPAEGFLPALSEWAKE
KGIVFIADEVQSGFCRTGEWFAVDHEGVVPDIITMAKGIAGGLPLSAITG
RADLLDAVHPGGLGGTYGGNPVACAAALAAIDTMEQHDLNGRARHIEELA
LGKLRELAAELSVVGDIRGRGAMLAIELVQPGSKEPNAELTKAVAAACLK
EGVIILTCGTYGNVIRLLPPLVISDELLIDGLEVLAAAIKAH
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 chain4atq Chain C Residue 1456 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4atq Structures of a Gamma-Aminobutyrate (Gaba) Transaminase from the S-Triazine-Degrading Organism Arthrobacter Aurescens Tc1 in Complex with Plp and with its External Aldimine Plp- Gaba Adduct.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		S133 G134 A135 Y161 H162 E233 D266 V268
Binding residue
(residue number reindexed from 1)		S125 G126 A127 Y153 H154 E225 D258 V260
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V42 Y161 E233 D266 Q269 K295 T324 R429
Catalytic site (residue number reindexed from 1) V34 Y153 E225 D258 Q261 K287 T316 R416
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4atq, PDBe:4atq, PDBj:4atq
PDBsum4atq
PubMed23027742
UniProtA1R958

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