Structure of PDB 3zyy Chain X Binding Site BS01

Receptor Information
>3zyy Chain X (length=628) Species: 129958 (Carboxydothermus hydrogenoformans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYKVLFKPDQKEVAISENTNLMEALNLAGINIKTVCGGAGTCGKCLVRVV
DGQKRVESYGKLKQEEIAQGYVLACQTYPESDLIIEIPFDSRLTQHQIVT
DDEKASGVMNELDLAEEDELDPLFKEVSLELPVPTLDDPRDDLSRLTATF
SRQENGNLIVEYEQLKDLPQILRNENFSVTVGVSDYLGLNKALYIKSGSA
SQRVFGLAIDIGTTTVVVQLVDLVSGKVLGTKGNYNKQAAFGDDVISRII
YVDENPDGAEKLRKAVLSTINELIFQLCKEHGVEKKEIMAAVVAGNTTMT
HLFLEIDPRYIRLEPYTPAALFIPPVPATEAKIEMNPKGFVYIMPNVASY
VGGDITSGVLYTGLANSDEITLFIDIGTNGEMVLGNKDWLVTCACSAGPA
FEGSGIKHGMRAMQGAIERVSISEAGLKVKYQTVGGIPPVGICGSGLIDL
LANLKRAGIIDRSGKIDRTVNKERIREGEDGLEFVLAWANESGNNKDIVI
TEADIQNLIRAKAAIFAGVRTMLAMVDLPLEAIDRVIIAGGFGKYLNIKD
AITIGLLPDIDINKFSYVGNSSLKGARKALLSRKACAEVKEIARKMTYLE
LSVGTTFMDEFVSASFIPHTDLHLFPSV
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3zyy Chain X Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3zyy Redox-Dependent Complex Formation by an ATP-Dependent Activator of the Corrinoid/Iron-Sulfur Protein.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C38 G39 G40 C44 C47 C77
Binding residue
(residue number reindexed from 1)		C36 G37 G38 C42 C45 C75
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:3zyy, PDBe:3zyy, PDBj:3zyy
PDBsum3zyy
PubMed22431597
UniProtQ3ACS2

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