Structure of PDB 3wsh Chain B Binding Site BS01

Receptor Information

>3wsh Chain B (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 ID

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

Name

FE (III) ION

PDB chain

3wsh Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3wsh A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Resolution	2.8 Å
Binding residue (original residue number in PDB)	H71 H221 E225
Binding residue (residue number reindexed from 1)	H66 H216 E220
Annotation score	4

External links

PDB	RCSB:3wsh, PDBe:3wsh, PDBj:3wsh
PDBsum	3wsh
PubMed	24931373

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