Structure of PDB 5mg5 Chain R Binding Site BS01

Receptor Information
>5mg5 Chain R (length=395) Species: 220664 (Pseudomonas protegens Pf-5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRVAIVSAAYTPKPGSSRVRQTFKEMIVESAYKALKDAKMHPREIQAVAY
GYHGEGISEYGGLGPTISDALGISPAPTFMSTANCTSSSVSFQMGHQMVA
SGEYDIVLCGGFEKMTDHFNYAEYIGSSTECEYDYFLGISHTDAFALATA
EYFQKFGYAGREADVLATFGRQMRIYAQNTPTATRYGQPIPSLEVLKNSE
ACGSMLAWGEASGCAILVAEHLAHKYTDKPVFVRGCAYTGVSHYFGTRFH
NPTLHHPGLPKDVGMAVSANSIACAEIAYKKAGITAKDIDVAQVYDLLGA
GLIQMESMGICGKGQAGDFVLEGGIALDGQLPLNTDGGNIGRGHASGCDG
ILHITELFRQLRGESDNQVKGARIGVSQNLGGYAAHNSVIVLSND
Ligand information
Ligand ID13X
InChIInChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChIKeyQCDYQQDYXPDABM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.370		Oc1cc(O)cc(O)c1
OpenEye OEToolkits 1.7.6c1c(cc(cc1O)O)O
FormulaC6 H6 O3
Namebenzene-1,3,5-triol;
Phloroglucinol
ChEMBLCHEMBL473159
DrugBankDB12944
ZINCZINC000000391883
PDB chain5mg5 Chain R Residue 500 [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]
PDB5mg5 Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase.
Resolution3.44 Å
Binding residue
(original residue number in PDB)		H56 C88 I128 H144
Binding residue
(residue number reindexed from 1)		H53 C85 I125 H141
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

View graph for
Molecular Function
External links
PDB RCSB:5mg5, PDBe:5mg5, PDBj:5mg5
PDBsum5mg5
PubMed30318713
UniProtQ4K420

[Back to BioLiP]