Structure of PDB 1frx Chain A Binding Site BS02

Receptor Information
>1frx Chain A (length=106) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFVVTDNCIKCKYTDCVEVSPVDCFYEGPNFLVIHPDECIDCALCEPECP
AQAIFSEDEVPEDMQEFIQLNAELAEVWPNITEKKDPLPDAEDWDGVKGK
LQHLER
Ligand information
Ligand IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1frx Chain A Residue 108 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1frx Site-directed mutagenesis of Azotobacter vinelandii ferredoxin I: cysteine ligation of the [4Fe-4S] cluster with protein rearrangement is preferred over serine ligation.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C8 K12 Y13 T14 D15 C16 L32 C49 I54
Binding residue
(residue number reindexed from 1)		C8 K12 Y13 T14 D15 C16 L32 C49 I54
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1frx, PDBe:1frx, PDBj:1frx
PDBsum1frx
PubMed7479727
UniProtP00214|FER1_AZOVI Ferredoxin-1 (Gene Name=fdxA)

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