Structure of PDB 5mg5 Chain O Binding Site BS01

Receptor Information
>5mg5 Chain O (length=396) Species: 220664 (Pseudomonas protegens Pf-5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARRVAIVSAAYTPKPGSSRVRQTFKEMIVESAYKALKDAKMHPREIQAVA
YGYHGEGISEYGGLGPTISDALGISPAPTFMSTANCTSSSVSFQMGHQMV
ASGEYDIVLCGGFEKMTDHFNYAEYIGSSTECEYDYFLGISHTDAFALAT
AEYFQKFGYAGREADVLATFGRQMRIYAQNTPTATRYGQPIPSLEVLKNS
EACGSMLAWGEASGCAILVAEHLAHKYTDKPVFVRGCAYTGVSHYFGTRF
HNPTLHHPGLPKDVGMAVSANSIACAEIAYKKAGITAKDIDVAQVYDLLG
AGLIQMESMGICGKGQAGDFVLEGGIALDGQLPLNTDGGNIGRGHASGCD
GILHITELFRQLRGESDNQVKGARIGVSQNLGGYAAHNSVIVLSND
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 O Residue 500 [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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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 H347
Binding residue
(residue number reindexed from 1)		H54 C86 I126 H142 H345
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

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