Structure of PDB 1h98 Chain A Binding Site BS01

Receptor Information
>1h98 Chain A (length=77) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHVICEPCIGVKDQSCVEVCPVECIYDGGDQFYIHPEECIDCGACVPACP
VNAIYPEEDVPEQWKSYIEKNRKLAGL
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 chain1h98 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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PDB1h98 New Insights Into the Thermostability of Bacterial Ferredoxins: High-Resolution Crystal Structure of the Seven-Iron Ferredoxin from Thermus Thermophilus
Resolution1.64 Å
Binding residue
(original residue number in PDB)		H2 C20 C24 I25 I34 C39 I40 D41 C42 G43 C45
Binding residue
(residue number reindexed from 1)		H2 C20 C24 I25 I34 C39 I40 D41 C42 G43 C45
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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:1h98, PDBe:1h98, PDBj:1h98
PDBsum1h98
PubMed11681700
UniProtP03942|FER_THET8 Ferredoxin (Gene Name=TTHA0177)

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