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BioLiP

Structure of PDB 1frl Chain A Binding Site BS01

Receptor Information
>1frl 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]
AFVVTDNCIKCKYTDCVEVCPVDCFYEGPNFLVIHPDSCIDCALCEPECP
AQAIFSEDEVPEDMQEFIQLNAELAEVWPNITEKKDPLPDAEDWDGVKGK
LQHLER
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 chain1frl Chain A Residue 107 [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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PDB1frl Azotobacter vinelandii ferredoxin I. Alteration of individual surface charges and the [4FE-4S]2+/+ cluster reduction potential.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F2 C20 C24 F25 I34 C39 I40 C42 A43 C45
Binding residue
(residue number reindexed from 1)		F2 C20 C24 F25 I34 C39 I40 C42 A43 C45
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:1frl, PDBe:1frl, PDBj:1frl
PDBsum1frl
PubMed8132582
UniProtP00214|FER1_AZOVI Ferredoxin-1 (Gene Name=fdxA)

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