Structure of PDB 6thq Chain A Binding Site BS02

Receptor Information
>6thq Chain A (length=297) Species: 999630 (Thermoproteus uzoniensis 768-20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMKVWLDGRLVDEEEAKVTVLSPSLNYGFGVFEGIRAYWNGENLYVFRL
RDHMERLLRSAKIIGLDVPYTAEELSKAVVETVRANGFKEDLYIRPVAYI
SKPQISLDVRGLQASVAIAAIPFGKYLKVEGVRAAVVSWRRVHTSMMPVM
AKATGIYLNSIMAAVEARARGYDEAIMLNAEGKVVEGSGENIFIVRRGVL
MTPPLEDGILEGITRETVISIAGDLGIPLLEKSITREELYAADEAFFVGT
AAEITPIIEIDGRVLQRGPITQKIAETYRRIVLGKEEKYLPWLTPVY
Ligand information
Ligand IDPY5
InChIInChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1
InChIKeyYYAMSLLSQINIQO-NSHDSACASA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCC[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC
OpenEye OEToolkits 1.5.0CCCC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
CACTVS 3.341CCC[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
FormulaC13 H21 N2 O7 P
Name2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID;
VITAMIN B6 COMPLEXED WITH 2-AMINO-PENTANOIC ACID
ChEMBL
DrugBankDB03662
ZINCZINC000002047162
PDB chain6thq Chain A Residue 302 [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 Y91 K150 Y155 E184 S186 G187 E188 N189 G210 I211 T212 G247 T248 A249
Binding residue
(residue number reindexed from 1)		R56 Y93 K152 Y157 E186 S188 G189 E190 N191 G212 I213 T214 G249 T250 A251
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F31 K150 E184 L208
Catalytic site (residue number reindexed from 1) F33 K152 E186 L210
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]