Structure of PDB 1e08 Chain A Binding Site BS04

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 ID

PDT

InChI

InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2

InChIKey

ZJLMKPKYJBQJNH-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CS)CS
ACDLabs 10.04 CACTVS 3.341	SCCCS

Formula

C3 H8 S2

Name

1,3-PROPANEDITHIOL

PDB chain

1e08 Chain A Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1e08 Structural Model of the Fe-Hydrogenase/Cytochrome C553 Complex Combining Transverse Relaxation-Optimized Spectroscopy Experiments and Soft Docking Calculations.
Resolution	N/A
Binding residue (original residue number in PDB)	A107 P108 A109 V110 F296 G297
Binding residue (residue number reindexed from 1)	A81 P82 A83 V84 F270 G271
Annotation score	1

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
PDBsum	1e08
PubMed	10748163
UniProt	P07598\|PHFL_NITV2 Periplasmic [Fe] hydrogenase large subunit (Gene Name=hydA)

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