Structure of PDB 3wsg Chain B Binding Site BS01
Receptor Information
>3wsg Chain B (length=245) Species:
243232
(Methanocaldococcus jannaschii DSM 2661) [
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NMKAKEIIEFIETFAPKDLAIEGDNIGLQVGDNLDKEIKKLGIALDPSLS
VIKKAEKEGVDFLFTHHPLLKDPIRNFTGVIYKKLKILMENDIILYSAHT
NLDICKNGLNDALAELYNLENPKPLYDNGLGRVGIFKGSFEEFLEITKKY
IHKNPIVVKSKEVDDNFKLAVLSGYGLSQSSIKYVAEKADVYLSGDLTHH
SKILAEELGLVVVDATHYSTEVFGLKKFKEFLSSNLDLEIISLDF
Ligand information
Ligand ID
FE2
InChI
InChI=1S/Fe/q+2
InChIKey
CWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Fe+2]
CACTVS 3.341
[Fe++]
Formula
Fe
Name
FE (II) ION
ChEMBL
DrugBank
DB14510
ZINC
PDB chain
3wsg Chain B Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
3wsg
A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Resolution
1.996 Å
Binding residue
(original residue number in PDB)
H71 H221 E225
Binding residue
(residue number reindexed from 1)
H67 H217 E221
Annotation score
4
External links
PDB
RCSB:3wsg
,
PDBe:3wsg
,
PDBj:3wsg
PDBsum
3wsg
PubMed
24931373
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