Structure of PDB 3csw Chain A Binding Site BS01

Receptor Information
>3csw Chain A (length=274) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HVLIWWRGKFRRADEISLDFSLFEKSLQGAVYETLRTYSRAPFAAYKHYT
RLKRSADFFNLPLSLSFDEFTKVLKAGADEFKQEVRIKVYLFPDSGEVLF
VFSPLNIPDLETGVEVKISNVRRIPDLSTPPALKITGRTDIVLARREIVD
CYDVILLGLNGQVCEGSFSNVFLVKEGKLITPSLDSGILDGITRENVIKL
AKSLEIPVEERVVWVWELFEADEMFLTHTSAGVVPVRRLNEHSFFEEEPG
PVTATLMENFEPFVLNLEENWVGI
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 chain3csw Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3csw Crystal structure of a Putative Branched-Chain Amino Acid Aminotransferase (TM0831) from Thermotoga maritima at 2.15 A resolution
Resolution2.15 Å
Binding residue
(original residue number in PDB)		R50 K133 E164 F167 S168 L188 G190 I191 T192 T228
Binding residue
(residue number reindexed from 1)		R51 K134 E165 F168 S169 L189 G191 I192 T193 T229
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y31 K133 E164 L188
Catalytic site (residue number reindexed from 1) Y32 K134 E165 L189
Enzyme Commision number 2.6.1.42: branched-chain-amino-acid transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic 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: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:3csw, PDBe:3csw, PDBj:3csw
PDBsum3csw
PubMed
UniProtP74921|ILVE_THEMA Probable branched-chain-amino-acid aminotransferase (Gene Name=ilvE)

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