Structure of PDB 6thq Chain B Binding Site BS01

Receptor Information
>6thq Chain B (length=301) Species: 999630 (Thermoproteus uzoniensis 768-20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHGSMKVWLDGRLVDEEEAKVTVLSPSLNYGFGVFEGIRAYWNGENLY
VFRLRDHMERLLRSAKIIGLDVPYTAEELSKAVVETVRANGFKEDLYIRP
VAYISKPQISLDVRGLQASVAIAAIPFGKYLKVEGVRAAVVSWRRVHTSM
MPVMAKATGIYLNSIMAAVEARARGYDEAIMLNAEGKVVEGSGENIFIVR
RGVLMTPPLEDGILEGITRETVISIAGDLGIPLLEKSITREELYAADEAF
FVGTAAEITPIIEIDGRVLQRGPITQKIAETYRRIVLGKEEKYLPWLTPV
Y
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 chain6thq Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6thq Three-Dimensional Structure of Branched-Chain Amino Acid Transaminase from Thermoproteus uzoniensis in Complex with L-Norvaline
Resolution2.15 Å
Binding residue
(original residue number in PDB)		R54 K150 Y155 E184 N189 L208 G210 I211 T212 T248
Binding residue
(residue number reindexed from 1)		R60 K156 Y161 E190 N195 L214 G216 I217 T218 T254
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F31 K150 E184 L208
Catalytic site (residue number reindexed from 1) F37 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:6thq, PDBe:6thq, PDBj:6thq
PDBsum6thq
PubMed
UniProtF2L0W0

[Back to BioLiP]