Structure of PDB 7msr Chain A Binding Site BS02

Receptor Information
>7msr Chain A (length=307) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYTASRQHLYVDKNTKIICQGFTGKQGTFHSQQALEYGTKLVGGTTPGKG
GQTHLGLPVFNTVKEAKEQTGATASVIYVPPPFAAAAINEAIEAEIPLVV
CITQGIPQQDMVRVKHKLLRQEKTRLIGPNCPGVINPGECKIGIMPGHIH
KKGRIGIVSRSGTLTYEAVHQTTQVGLGQSLCVGIGGDPFNGTDFIDCLE
IFLNDSATEGIILIGEIGGNAEENAAEFLKQHNSGPNSKPVVSFIAGLTA
PPGRRMGHAGAIIAGGKGGAKEKISALQSAGVVVSMSPAQLGTTIYKEFE
KRKMLEH
Ligand information
Ligand IDZNS
InChIInChI=1S/C4H7O7P/c5-3(6)1-2-4(7)11-12(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10)
InChIKeyNCRLTRUGOQIEKI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(=O)OP(=O)(O)O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)O[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)OC(=O)CCC(=O)O
FormulaC4 H7 O7 P
Name4-oxo-4-(phosphonooxy)butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain7msr Chain B Residue 602 [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]
PDB7msr The structure of succinyl-CoA synthetase bound to the succinyl-phosphate intermediate clarifies the catalytic mechanism of ATP-citrate lyase
Resolution1.58 Å
Binding residue
(original residue number in PDB)		S162 G163 T164 Y167 H259
Binding residue
(residue number reindexed from 1)		S161 G162 T163 Y166 H258
Annotation score2
Enzymatic activity
Enzyme Commision number 6.2.1.4: succinate--CoA ligase (GDP-forming).
6.2.1.5: succinate--CoA ligase (ADP-forming).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:7msr, PDBe:7msr, PDBj:7msr
PDBsum7msr
PubMed
UniProtP53597|SUCA_HUMAN Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial (Gene Name=SUCLG1)

[Back to BioLiP]