Structure of PDB 7msr Chain B Binding Site BS01

Receptor Information
>7msr Chain B (length=393) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLQEYQSKKLMSDNGVRVQRFFVADTANEALEAAKRLNAKEIVLKAQIL
AGGRGKGVFNSGLKGGVHLTKDPNVVGQLAKQMIGYNLATKQTPKEGVKV
NKVMVAEALDISRETYLAILMDRSCNGPVLVGSPQGGVDIEEVAASNPEL
IFKEQIDIFEGIKDSQAQRMAENLGFVGPLKSQAADQITKLYNLFLKIDA
TQVEVNPFGETPEGQVVCFDAKINFDDNAEFRQKDIFAMDDKSENEPIEN
EAAKYDLKYIGLDGNIACFVNGAGLAMATCDIIFLNGGKPANFLDLGGGV
KEAQVYQAFKLLTADPKVEAILVNIFGGIVNCAIIANGITKACRELELKV
PLVVRLEGTNVQEAQKILNNSGLPITSAIDLEDAAKKAVASVA
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
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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)		N271 G272 A273 G328 I329 V330
Binding residue
(residue number reindexed from 1)		N271 G272 A273 G328 I329 V330
Annotation score2
Enzymatic activity
Enzyme Commision number 6.2.1.4: succinate--CoA ligase (GDP-forming).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004775 succinate-CoA ligase (ADP-forming) activity
GO:0004776 succinate-CoA ligase (GDP-forming) activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016874 ligase activity
GO:0019003 GDP binding
GO:0044877 protein-containing complex binding
GO:0046872 metal ion binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006104 succinyl-CoA metabolic process
GO:0006105 succinate metabolic process
GO:1901289 succinyl-CoA catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005886 plasma membrane
GO:0032991 protein-containing complex
GO:0042709 succinate-CoA ligase complex
GO:0045244 succinate-CoA ligase complex (GDP-forming)

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7msr, PDBe:7msr, PDBj:7msr
PDBsum7msr
PubMed
UniProtQ96I99|SUCB2_HUMAN Succinate--CoA ligase [GDP-forming] subunit beta, mitochondrial (Gene Name=SUCLG2)

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