Structure of PDB 1ohw Chain D Binding Site BS03
Receptor Information
>1ohw Chain D (length=461) Species:
9823
(Sus scrofa) [
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FDYDGPLMKTEVPGPRSRELMKQLNIIQNAEAVHFFCNYEESRGNYLVDV
DGNRMLDLYSQISSIPIGYSHPALVKLVQQPQNVSTFINRPALGILPPEN
FVEKLRESLLSVAPKGMSQLITMACGSCSNENAFKTIFMWYRSKERGQSA
FSKEELETCMINQAPGCPDYSILSFMGAFHGRTMGCLATTHSKAIHKIDI
PSFDWPIAPFPRLKYPLEEFVKENQQEEARCLEEVEDLIVKYRKKKKTVA
GIIVEPIQSEGGDNHASDDFFRKLRDISRKHGCAFLVDEVQTGGGSTGKF
WAHEHWGLDDPADVMTFSKKMMTGGFFHKEEFRPNAPYRIFNTWLGDPSK
NLLLAEVINIIKREDLLSNAAHAGKVLLTGLLDLQARYPQFISRVRGRGT
FCSFDTPDESIRNKLISIARNKGVMLGGCGDKSIRFRPTLVFRDHHAHLF
LNIFSDILADF
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
1ohw Chain D Residue 600 [
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Receptor-Ligand Complex Structure
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PDB
1ohw
Structures of {Gamma}-Aminobutyric Acid (Gaba) Aminotransferase, a Pyridoxal 5'-Phosphate, and [2Fe-2S] Cluster-Containing Enzyme, Complexed with {Gamma}-Ethynyl-Gaba and with the Antiepilepsy Drug Vigabatrin
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
G136 S137 F189 H190 G191 E265 D298 V300
Binding residue
(residue number reindexed from 1)
G126 S127 F179 H180 G181 E255 D288 V290
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
F189 E265 D298 Q301 K329 T353 R445
Catalytic site (residue number reindexed from 1)
F179 E255 D288 Q291 K319 T343 R435
Enzyme Commision number
2.6.1.19
: 4-aminobutyrate--2-oxoglutarate transaminase.
2.6.1.22
: (S)-3-amino-2-methylpropionate transaminase.
Gene Ontology
Molecular Function
GO:0008483
transaminase activity
GO:0030170
pyridoxal phosphate binding
GO:0032145
succinate-semialdehyde dehydrogenase binding
GO:0034386
4-aminobutyrate:2-oxoglutarate transaminase activity
GO:0042802
identical protein binding
GO:0042803
protein homodimerization activity
GO:0046872
metal ion binding
GO:0047298
(S)-3-amino-2-methylpropionate transaminase activity
GO:0051537
2 iron, 2 sulfur cluster binding
Biological Process
GO:0009448
gamma-aminobutyric acid metabolic process
GO:0009450
gamma-aminobutyric acid catabolic process
GO:0048148
behavioral response to cocaine
Cellular Component
GO:0005739
mitochondrion
GO:0005759
mitochondrial matrix
GO:0005829
cytosol
GO:0032144
4-aminobutyrate transaminase complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1ohw
,
PDBe:1ohw
,
PDBj:1ohw
PDBsum
1ohw
PubMed
14534310
UniProt
P80147
|GABT_PIG 4-aminobutyrate aminotransferase, mitochondrial (Gene Name=ABAT)
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