Structure of PDB 5ce8 Chain A Binding Site BS01

Receptor Information
>5ce8 Chain A (length=296) Species: 999630 (Thermoproteus uzoniensis 768-20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKVWLDGRLVDEEEAKVTVLSPSLNYGFGVFEGIRAYWNGENLYVFRLR
DHMERLLRSAKIIGLDVPYTAEELSKAVVETVRANGFKEDLYIRPVAYIS
KPQISLDVRGLQASVAIAAIPFGKYLKVEGVRAAVVSWRRVHTSMMPVMA
KATGIYLNSIMAAVEARARGYDEAIMLNAEGKVVEGSGENIFIVRRGVLM
TPPLEDGILEGITRETVISIAGDLGIPLLEKSITREELYAADEAFFVGTA
AEITPIIEIDGRVLQRGPITQKIAETYRRIVLGKEEKYLPWLTPVY
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 chain5ce8 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ce8 First structure of archaeal branched-chain amino acid aminotransferase from Thermoproteus uzoniensis specific for L-amino acids and R-amines.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R54 K150 Y155 E184 E188 L208 G210 I211 T212 T248
Binding residue
(residue number reindexed from 1)		R55 K151 Y156 E185 E189 L209 G211 I212 T213 T249
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F31 K150 E184 L208
Catalytic site (residue number reindexed from 1) F32 K151 E185 L209
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:5ce8, PDBe:5ce8, PDBj:5ce8
PDBsum5ce8
PubMed26872794
UniProtF2L0W0

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