Structure of PDB 3wsg Chain A Binding Site BS01

Receptor Information

>3wsg Chain A (length=248) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EVVNMKAKEIIEFIETFAPKDLAIEGDNIGLQVGDNLDKEIKKLGIALDP
SLSVIKKAEKEGVDFLFTHHPLLKDPIRNFTGVIYKKLKILMENDIILYS
AHTNLDICKNGLNDALAELYNLENPKPLYDNGLGRVGIFKGSFEEFLEIT
KKYIHKNPIVVKSKEVDDNFKLAVLSGYGLSQSSIKYVAEKADVYLSGDL
THHSKILAEELGLVVVDATHYSTEVFGLKKFKEFLSSNLDLEIISLDF

Ligand information

InChI=1S/Fe/q+2

CWYNVVGOOAEACU-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Fe+2]
CACTVS 3.341	[Fe++]

Formula

Name

FE (II) ION

PDB chain

3wsg Chain A 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	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)	H70 H220 E224
Annotation score	4

External links

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

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