Structure of PDB 4mcw Chain A Binding Site BS03
Receptor Information
>4mcw Chain A (length=361) Species:
123214
(Persephonella marina EX-H1) [
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DPERKLKILLDYSSKIANEKDLRNVLLFLTDLAKEIMEADRASIFLYDDQ
KKTLWTIVAHGVDRIEIDADKGIAGYVFRTGEILNIPDAYKDPRFDRDID
KRTGYRTRTILAVPLFDRKQNIIGVFQVINKLTNSVFTEEDIELLRHISL
YASSTIENAILYEKLKKAHEDVIYRLSHATKFKDPETQNHIIRVGLYAEI
LAREAGLDEEDVELVKLAAPMHDIGKVGIPDRVLLKPGKLNDEEWEIMKK
HTIYGYEILKGGDSRLLQIAADIAIEHHERWDGTGYPFGKKGEEISIYGR
MTSISDVFDALTSDRPYKKAWDMDRTVRFFKEQKGKHFDPFLTDIFLKNI
DQMFSIKRELR
Ligand information
Ligand ID
FE
InChI
InChI=1S/Fe/q+3
InChIKey
VTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
Formula
Fe
Name
FE (III) ION
ChEMBL
DrugBank
DB13949
ZINC
PDB chain
4mcw Chain A Residue 403 [
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Receptor-Ligand Complex Structure
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Structure summary
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PDB
4mcw
Crystal structure of an HD-GYP domain cyclic-di-GMP phosphodiesterase reveals an enzyme with a novel trinuclear catalytic iron centre.
Resolution
2.03 Å
Binding residue
(original residue number in PDB)
E185 H189 H221 D305
Binding residue
(residue number reindexed from 1)
E186 H190 H222 D306
Annotation score
4
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
PDBsum
4mcw
PubMed
24176013
UniProt
C0QQ26
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