Structure of PDB 4mdz Chain A Binding Site BS03

Receptor Information
>4mdz Chain A (length=361) Species: 123214 (Persephonella marina EX-H1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPERKLKILLDYSSKIANEKDLRNVLLFLTDLAKEIMEADRASIFLYDDQ
KKTLWTIVAHGVDRIEIDADKGIAGYVFRTGEILNIPDAYKDPRFDRDID
KRTGYRTRTILAVPLFDRKQNIIGVFQVINKLTNSVFTEEDIELLRHISL
YASSTIENAILYEKLKKAHEDVIYRLSHATKFKDPETQNHIIRVGLYAEI
LAREAGLDEEDVELVKLAAPMHDIGKVGIPDRVLLKPGKLNDEEWEIMKK
HTIYGYEILKGGDSRLLQIAADIAIEHHERWDGTGYPFGKKGEEISIYGR
MTSISDVFDALTSDRPYKKAWDMDRTVRFFKEQKGKHFDPFLTDIFLKNI
DQMFSIKRELR
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 chain4mdz Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mdz Crystal structure of an HD-GYP domain cyclic-di-GMP phosphodiesterase reveals an enzyme with a novel trinuclear catalytic iron centre.
Resolution2.68 Å
Binding residue
(original residue number in PDB)		E185 H189 H221 D305
Binding residue
(residue number reindexed from 1)		E186 H190 H222 D306
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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:4mdz, PDBe:4mdz, PDBj:4mdz
PDBsum4mdz
PubMed24176013
UniProtC0QQ26

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