Structure of PDB 7nea Chain A Binding Site BS01

Receptor Information
>7nea Chain A (length=309) Species: 525904 (Thermobaculum terrenum ATCC BAA-798) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENPKYLWWNHRIIPWEEATVHLTDYWWASVTAVFEVISGYWNNAEGEMYI
FRLEDHARRLEQSMQLIRMPKEFTVDEICQATIDLVRANDYRGDVFIMPL
AYAVGNKAFSVVGDRTTEMFIYSRPAVSRLEEDFSLHACYSSWTRINERV
LPPRIKALANYRNSQLASSEAAMNGYDTALFLNPEGKVAEGTGSCVFFVR
KGKLITPDITSGILESITRDTVIHLAREVLGLEVEERVVDRTETYLADEA
FLCGTHAEITPIASIDRHEMKHGAPGPITRQLRDIYREVVYGRDFRYRNW
LTPVGMGVR
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 chain7nea 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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PDB7nea Probing the role of the residues in the active site of the transaminase from Thermobaculum terrenum.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R64 K161 Y166 E195 G198 S199 L219 S221 I222 T223 T260
Binding residue
(residue number reindexed from 1)		R59 K156 Y161 E190 G193 S194 L214 S216 I217 T218 T255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F39 K161 E195 L219
Catalytic site (residue number reindexed from 1) F34 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7nea, PDBe:7nea, PDBj:7nea
PDBsum7nea
PubMed34324538
UniProtD1CCW1

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