Structure of PDB 6cza Chain B Binding Site BS01

Receptor Information
>6cza Chain B (length=234) Species: 94122 (Shewanella sp. ANA-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLGMVIDLQKCVGCGGCSLACKTENNTNDGIHWSHHIATTEGTFPDVKY
TYIPTLCNHCDDAPCVKVCPTGAMHKDKRGLTLQNNDECIGCKKCMNACP
YGVISFNAATPHRRWQDDSEVVANGTVSPLMLLKRTGATATPNENPERGD
TYPMIRPKRTTEKCTFCDHRLDKGLNPACVDACPSEARVIGDLDDPQSKV
SQLIKLHKPMQLKPEAGTGPRVFYIRSFGVKTAY
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6cza 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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PDB6cza Structural and mechanistic analysis of the arsenate respiratory reductase provides insight into environmental arsenic transformations.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		C12 V13 G14 C15 G16 C18 P54 C183 P184 R188
Binding residue
(residue number reindexed from 1)		C12 V13 G14 C15 G16 C18 P54 C183 P184 R188
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6cza, PDBe:6cza, PDBj:6cza
PDBsum6cza
PubMed30104376
UniProtQ7WTT9|ARRB_SHESA Arsenate respiratory reductase iron-sulfur subunit ArrB (Gene Name=arrB)

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