Structure of PDB 4mcw Chain B Binding Site BS01

Receptor Information
>4mcw Chain B (length=363) Species: 123214 (Persephonella marina EX-H1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQDPERKLKILLDYSSKIANEKDLRNVLLFLTDLAKEIMEADRASIFLYD
DQKKTLWTIVAHGVDRIEIDADKGIAGYVFRTGEILNIPDAYKDPRFDRD
IDKRTGYRTRTILAVPLFDRKQNIIGVFQVINKLTNSVFTEEDIELLRHI
SLYASSTIENAILYEKLKKAHEDVIYRLSHATKFKDPETQNHIIRVGLYA
EILAREAGLDEEDVELVKLAAPMHDIGKVGIPDRVLLKPGKLNDEEWEIM
KKHTIYGYEILKGGDSRLLQIAADIAIEHHERWDGTGYPFGKKGEEISIY
GRMTSISDVFDALTSDRPYKKAWDMDRTVRFFKEQKGKHFDPFLTDIFLK
NIDQMFSIKRELR
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4mcw Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mcw Crystal structure of an HD-GYP domain cyclic-di-GMP phosphodiesterase reveals an enzyme with a novel trinuclear catalytic iron centre.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		D222 H250 H276 H277
Binding residue
(residue number reindexed from 1)		D225 H253 H279 H280
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.4.1: phosphodiesterase I.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4mcw, PDBe:4mcw, PDBj:4mcw
PDBsum4mcw
PubMed24176013
UniProtC0QQ26

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