Structure of PDB 5k21 Chain C Binding Site BS02

Receptor Information
>5k21 Chain C (length=122) Species: 1214102 (Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 = JCM 6387) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTMTLDVKNDQVAKHDFGKPGMDVGDMDIFSDILSVDGKQVGYDGGACFF
TNVTPDNPMTYCELTIHLDAGEIFARSLTPHTLAPFTMAITGGTGEYANS
KGELTVSGVATPDEKYELKLTK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5k21 Chain C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5k21 Pyocyanin degradation by a tautomerizing demethylase inhibits Pseudomonas aeruginosa biofilms.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D56 F57 K59 G61 D63 D66
Binding residue
(residue number reindexed from 1)		D16 F17 K19 G21 D23 D26
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5k21, PDBe:5k21, PDBj:5k21
PDBsum5k21
PubMed27940577
UniProtK0V2D8

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