Structure of PDB 1jnz Chain B Binding Site BS01

Receptor Information
>1jnz Chain B (length=149) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSFVNPEKCDGCKALERTACEYICPNDLMTLDKEKMKAYNREPDMCWECY
SCVKMCPQGAIDVRGYVDYSPLGGACVPMRGTSDIMWTVKYRNGKVLRFK
FAIRTTPWGSIQPFEGFPEPTEEALKSELLAGEPEIIGTSEFPQVKKKA
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 chain1jnz Chain B Residue 1100 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jnz Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6-A resolution
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S703 C725 P726 L729 M730 C747 E749 C750 Y751 C753
Binding residue
(residue number reindexed from 1)		S2 C24 P25 L28 M29 C46 E48 C49 Y50 C52
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W748
Catalytic site (residue number reindexed from 1) W47
Enzyme Commision number 1.8.99.2: adenylyl-sulfate reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1jnz, PDBe:1jnz, PDBj:1jnz
PDBsum1jnz
PubMed11842205
UniProtO28604

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