Structure of PDB 2wl3 Chain A Binding Site BS02

Receptor Information
>2wl3 Chain A (length=287) Species: 186196 (Rhodococcus sp. DK17) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKVTELGYLGLSVSNLDAWRDYAAGIMGMQVVDDGEDDRIYLRMDRWHHR
IVLHADGSDDLAYIGWRVAGPVELDELAEQLKNAGIPFEVASDADAAERR
VLGLVKLHDPGGNPTEIFYGPQVDTSSPFHPGRPMFGKFVTEGQGLGHII
IREDDVEEATRFYRLLGLEGAVEYKFALPNGAVGTPVFMHCNDRHHSLAF
GVGPMDKRINHLMIEYTHLDDLGYAHDLVRQQKIDVTLQIGKHSNDEALT
FYCANPSGWLWEPGWGSRPAPAQQEHYLRDIFGHDNE
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 chain2wl3 Chain A Residue 1290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wl3 Substrate-Binding Mechanism of a Type I Extradiol Dioxygenase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		P111 D155
Binding residue
(residue number reindexed from 1)		P110 D154
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0008198 ferrous iron binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009056 catabolic process
GO:0042178 xenobiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2wl3, PDBe:2wl3, PDBj:2wl3
PDBsum2wl3
PubMed20810655
UniProtQ6REQ5

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