Structure of PDB 6cz7 Chain B Binding Site BS03

Receptor Information
>6cz7 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 chain6cz7 Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cz7 Structural and mechanistic analysis of the arsenate respiratory reductase provides insight into environmental arsenic transformations.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		C57 N58 H59 C60 A63 P64 C65 T82 C99 Y101 V103 I104 K163
Binding residue
(residue number reindexed from 1)		C57 N58 H59 C60 A63 P64 C65 T82 C99 Y101 V103 I104 K163
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:6cz7, PDBe:6cz7, PDBj:6cz7
PDBsum6cz7
PubMed30104376
UniProtQ7WTT9|ARRB_SHESA Arsenate respiratory reductase iron-sulfur subunit ArrB (Gene Name=arrB)

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