Structure of PDB 1a3g Chain C Binding Site BS01
Receptor Information
>1a3g Chain C (length=295) Species:
562
(Escherichia coli) [
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KADYIWFNGEMVRWEDAKVHVMSHALHYGTSVFEGIRCYDSHKGPVVFRH
REHMQRLHDSAKIYRFPVSQSIDELMEACRDVIRKNNLTSAYIRPLIFVG
DVGMGVNPPAGYSTDVIIAAFPWQGIDAMVSSWNRAAPNTIPTAAKAGGN
YLSSLLVGSEARRHGYQEGIALDVNGYISEGAGENLFEVKDGVLFTPPFT
SSALPGITRDAIIKLAKELGIEVREQVLSRESLYLADEVFMSGTAAEITP
VRSVDGIQVGEGRCGPVTKRIQQAFFGLFTGETEDKWGWLDQVNQ
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
1a3g Chain C Residue 413 [
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Receptor-Ligand Complex Structure
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PDB
1a3g
Three-dimensional structure of Escherichia coli branched-chain amino acid aminotransferase at 2.5 A resolution.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
R59 K159 Y164 E193 G196 E197 G219 I220 T221 T257
Binding residue
(residue number reindexed from 1)
R56 K146 Y151 E180 G183 E184 G206 I207 T208 T244
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
F36 G38 K159 A160 E193 L217
Catalytic site (residue number reindexed from 1)
F33 G35 K146 A147 E180 L204
Enzyme Commision number
2.6.1.42
: branched-chain-amino-acid transaminase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0004084
branched-chain-amino-acid transaminase activity
GO:0008483
transaminase activity
GO:0042802
identical protein binding
GO:0052654
L-leucine-2-oxoglutarate transaminase activity
GO:0052655
L-valine-2-oxoglutarate transaminase activity
GO:0052656
L-isoleucine-2-oxoglutarate transaminase activity
Biological Process
GO:0006532
aspartate biosynthetic process
GO:0008652
amino acid biosynthetic process
GO:0009081
branched-chain amino acid metabolic process
GO:0009082
branched-chain amino acid biosynthetic process
GO:0009097
isoleucine biosynthetic process
GO:0009098
L-leucine biosynthetic process
GO:0009099
L-valine biosynthetic process
GO:0046394
carboxylic acid biosynthetic process
Cellular Component
GO:0005829
cytosol
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1a3g
,
PDBe:1a3g
,
PDBj:1a3g
PDBsum
1a3g
PubMed
9163511
UniProt
P0AB80
|ILVE_ECOLI Branched-chain-amino-acid aminotransferase (Gene Name=ilvE)
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