Structure of PDB 4atq Chain E Binding Site BS01
Receptor Information
>4atq Chain E (length=442) Species:
290340
(Paenarthrobacter aurescens TC1) [
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ELSYRIEQKRNINGAFPGPKSQALAERRSAVVAAGVASGVPVYVEDADGG
IIRDVDGNSFIDLGSGIAVTSVGASDPAVVAAVQEAAAHFTHTCFMVTPY
EGYVAVTEQLNRLTPGDHAKRTVLFNSGAEAVENAVKVARLATGRDAVVA
FDHAYHGRTNLTMALTAKAMPYKTNFGPFAPEVYRMPMSYPFREENPEIT
GAEAAKRAITMIEKQIGGDQVAAIIIEPIQGEGGFIVPAEGFLPALSEWA
KEKGIVFIADEVQSGFCRTGEWFAVDHEGVVPDIITMAKGIAGGLPLSAI
TGRADLLDAVHPGGLGGTYGGNPVACAAALAAIDTMEQHDLNGRARHIEE
LALGKLRELAASVVGDIRGRGAMLAIELVQPGSKEPNAELTKAVAAACLK
EGVIILTCGTYGNVIRLLPPLVISDELLIDGLEVLAAAIKAH
Ligand information
Ligand ID
PLP
InChI
InChI=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)
InChIKey
NGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04
O=P(O)(O)OCc1cnc(c(O)c1C=O)C
Formula
C8 H10 N O6 P
Name
PYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBL
CHEMBL82202
DrugBank
DB00114
ZINC
ZINC000001532514
PDB chain
4atq Chain E Residue 1456 [
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Receptor-Ligand Complex Structure
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PDB
4atq
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.
Resolution
2.75 Å
Binding residue
(original residue number in PDB)
G134 A135 Y161 H162 E233 D266 V268 Q269
Binding residue
(residue number reindexed from 1)
G128 A129 Y155 H156 E227 D260 V262 Q263
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
V42 Y161 E233 D266 Q269 K295 T324 R429
Catalytic site (residue number reindexed from 1)
V36 Y155 E227 D260 Q263 K289 T318 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
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:4atq
,
PDBe:4atq
,
PDBj:4atq
PDBsum
4atq
PubMed
23027742
UniProt
A1R958
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