Structure of PDB 6h65 Chain A Binding Site BS01

Receptor Information
>6h65 Chain A (length=305) Species: 502025 (Haliangium ochraceum DSM 14365) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPRYGWMNGQCIPWDQCSLHVSTQAAFFGASLFEGVRAYWNAEREQLYVF
RLDEHLRRLEQSAKMLRMKLSMPIADIRQGVLELLRANEFRSDVHLYVAS
YFGINHDPDPLFPTDDTGVYVTGTAVSRLPLVHTGISACMSSWRRISDDS
VPPRIKIGANYQNSRLAQTEARVNGYHTSVLLNSRGKVSETPGACLLMVR
DGRVISPPVTADILESVTRKTLMSLSEAELDSPVIERDMDRTELYIAEEV
FLCGTIAEILPVTTIDRIQVGDGEVGPVTRRLQELYFGVTSGQLEAYKSW
LLPVY
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 chain6h65 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6h65 Crystal structure of the branched-chain-amino-acid aminotransferase from Haliangium ochraceum
Resolution2.35 Å
Binding residue
(original residue number in PDB)		R69 K167 Y172 E201 A205 L225 S227 V228 T229 G265 T266
Binding residue
(residue number reindexed from 1)		R58 K156 Y161 E190 A194 L214 S216 V217 T218 G254 T255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F44 K167 E201 L225
Catalytic site (residue number reindexed from 1) F33 K156 E190 L214
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: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: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:0019752 carboxylic acid metabolic process
GO:0046394 carboxylic acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6h65, PDBe:6h65, PDBj:6h65
PDBsum6h65
PubMed
UniProtD0LR31

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