Structure of PDB 6q8e Chain A Binding Site BS01

Receptor Information
>6q8e Chain A (length=307) Species: 525904 (Thermobaculum terrenum ATCC BAA-798) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENPKYLWWNHRIIPWEEATVHLTDYWWASVTAVFEGIRGYWNNAEGEMYI
FRLEDHARRLEQSMQLIRMPKEFTVDEICQATIDLVRANDYRGDVYIMPL
AYAVGNKAFSVVGDRTTEMFIYSRPAVSRLEEDFSLHACYSSWTRINERV
LPPRIKALANYRNSQLASSEAAMNGYDTALFLNPEGKVAEGTGSCVFFVR
KGKLITPDITSGILESITRDTVIHLAREVLGLEVEERVVDRTETYLADEA
FLCGTHAEITPIASIDRHEMKHGAPGPITRQLRDIYREVVYGRDFRYRNW
LTPVGMG
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain6q8e Chain A Residue 401 [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]
PDB6q8e Biochemical and structural insights into PLP fold type IV transaminase from Thermobaculum terrenum.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		R64 K161 Y166 E195 G198 S199 C200 L219 S221 I222 T223 G259 T260
Binding residue
(residue number reindexed from 1)		R59 K156 Y161 E190 G193 S194 C195 L214 S216 I217 T218 G254 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:6q8e, PDBe:6q8e, PDBj:6q8e
PDBsum6q8e
PubMed30599183
UniProtD1CCW1

[Back to BioLiP]