Structure of PDB 1e08 Chain A Binding Site BS03

Receptor Information
>1e08 Chain A (length=371) Species: 876 (Desulfovibrio desulfuricans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVQIDEAKCIGCDTCSQYCPTAAIFGEMGEPHSIPHIEACINCGQCLTHC
PENAIYEAQSWVPEVEKKLKDGKVKCIAMPAPAVRYALGDAFGMPVGSVT
TGKMLAALQKLGFAHCWDTEFTADVTIWEEGSEFVERLTKKSDMPLPQFT
SCCPGWQKYAETYYPELLPHFSTCKSPIGMNGALAKTYGAERMKYDPKQV
YTVSIMPCIAKKYEGLRPELKSSGMRDIDATLTTRELAYMIKKAGIDFAK
LPDGKRDSLMGESTGGATIFGVTGGVMEAALRFAYEAVTGKKPDSWDFKA
VRGLDGIKEATVNVGGTDVKVAVVHGAKRFKQVCDDVKAGKSPYHFIEYM
ACPGGCVCGGGQPVMPGVLEA
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 chain1e08 Chain A Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1e08 Structural Model of the Fe-Hydrogenase/Cytochrome C553 Complex Combining Transverse Relaxation-Optimized Spectroscopy Experiments and Soft Docking Calculations.
ResolutionN/A
Binding residue
(original residue number in PDB)		C69 C179 C234 M376 C378 C382
Binding residue
(residue number reindexed from 1)		C43 C153 C208 M350 C352 C356
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E156 E159 C178 S198 K237 E240 E245 C382
Catalytic site (residue number reindexed from 1) E130 E133 C152 S172 K211 E214 E219 C356
Enzyme Commision number 1.12.7.2: ferredoxin hydrogenase.
External links
PDB RCSB:1e08, PDBe:1e08, PDBj:1e08
PDBsum1e08
PubMed10748163
UniProtP07598|PHFL_NITV2 Periplasmic [Fe] hydrogenase large subunit (Gene Name=hydA)

[Back to BioLiP]