Structure of PDB 7vrs Chain A Binding Site BS01

Receptor Information
>7vrs Chain A (length=444) Species: 67257 (Streptomyces albus subsp. albus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APALAEVLAPTVPWPLSGKNPGALQGQAARLAAHLAEDHDLSLSDLGLSL
ATTRARLEHRAVVVLGSREEALGGLGALGEQMPAGNVVTGAADLSGKTVF
VFPGQGSQWAGMAVELLDSSPVFAARFAEVAGAVEAYVDWSVESVVRGAD
EAPSLDRIEILQPVLFTVMVSLAALWRAAGVVPDAVVGHCQGEIAAAAVS
GALSLGDAAQVVVLRSQLFADELVGKGAVASVSLPAAEVEARIARFNGDA
ELLSIAGNNGPRSVTVAGQVAALEELVAELEAEGVRAKVIGSTVASHSAQ
VDPLHERILDLLSFVQPREGSVPLYSTVNGEVLNGAELDASYWFENSRRP
VSFEPVVRALFADGFDVFVESSAHPVLTYGISETAEAAGREVLAQGTLRR
EEGGLARFYSSLAGVWTRGVDVDWAGAFAGRGARVVDLPTYAFQ
Ligand information
Ligand IDME9
InChIInChI=1S/C12H12N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h3-6H,1-2,7-8H2
InChIKeyWXXSHAKLDCERGU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O
ACDLabs 12.01
CACTVS 3.370		O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O
FormulaC12 H12 N2 O4
Name1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)
ChEMBLCHEMBL567436
DrugBank
ZINCZINC000001677060
PDB chain7vrs Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7vrs Structural visualization of transient interactions between the cis-acting acyltransferase and acyl carrier protein of the salinomycin modular polyketide synthase.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Q105 H189 C190 V229 T265 T293
Binding residue
(residue number reindexed from 1)		Q105 H189 C190 V229 T265 T293
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:7vrs, PDBe:7vrs, PDBj:7vrs
PDBsum7vrs
PubMed35647924
UniProtH6D573

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