Structure of PDB 3wsd Chain E Binding Site BS01

Receptor Information
>3wsd Chain E (length=244) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAKEIIEFIETFAPKDLAIEGDNIGLQVGDNLDKEIKKLGIALDPSLSV
IKKAEKEGVDFLFTHHPLLKDPIRNFTGVIYKKLKILMENDIILYSAHTN
LDICKNGLNDALAELYNLENPKPLYDNGLGRVGIFKGSFEEFLEITKKYI
HKNPIVVKSKEVDDNFKLAVLSGYGLSQSSIKYVAEKADVYLSGDLTHHS
KILAEELGLVVVDATHYSTEVFGLKKFKEFLSSNLDLEIISLDF
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 chain3wsd Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wsd A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H70 D107 E225
Binding residue
(residue number reindexed from 1)		H65 D102 E220
Annotation score4
External links