Structure of PDB 1h0h Chain A Binding Site BS03

Receptor Information
>1h0h Chain A (length=977) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATMALKTVDAKQTTSVCCYCSVGCGLIVHTDKKTNRAINVEGDPDHPINE
GSLCAKGASTWQLAENERRPANPLYRAPGSDQWEEKSWDWMLDTIAERVA
KTREATFVTKNAKGQVVNRCDGIASVGSAAMDNEECWIYQAWLRSLGLFY
IEHQARICHSATVAALAESYGRGAMTNHWIDLKNSDVILMMGSNPAENHP
ISFKWVMRAKDKGATLIHVDPRYTRTSTKCDLYAPLRSGSDIAFLNGMTK
YILEKELYFKDYVVNYTNASFIVGEGFAFEEGLFAGYNKETRKYDKSKWG
FERDENGNPKRDETLKHPRCVFQIMKKHYERYDLDKISAICGTPKELILK
VYDAYCATGKPDKAGTIMYAMGWTQHTVGVQNIRAMSINQLLLGNIGVAG
GGVNALRGEANVQGSTDHGLLMHIYPGYLGTARASIPTYEEYTKKFTPVS
KDPQSANWWSNFPKYSASYIKSMWPDADLNEAYGYLPKGEDGKDYSWLTL
FDDMFQGKIKGFFAWGQNPACSGANSNKTREALTKLDWMVNVNIFDNETG
SFWRGPDMDPKKIKTEVFFLPCAVAIEKEGSISNSGRWMQWRYVGPEPRK
NAIPDGDLIVELAKRVQKLLAKTPGKLAAPVTKLKTDYWVNDHGHFDPHK
IAKLINGFALKDFKVGDVEYKAGQQIATFGHLQADGSTTSGCWIYTGSYT
EKGNMAARRDKTQTDMQAKIGLYPGWTWAWPVNRRIIYNRASVDLNGKPY
APEKAVVEWNAAEKKWVGDVPDGPWPPQADKEKGKRAFIMKPEGYAYLYG
PGREDGPLPEYYEPMECPVIEHPFSKTLHNPTALHFATEEKAVCDPRYPF
ICSTYRVTEHWQTGLMTRNTPWLLEAEPQMFCEMSEELATLRGIKNGDKV
ILESVRGKLWAKAIITKRIKPFAIQGQQVHMVGIPWHYGWSFPKNGGDAA
NILTPSVGNPNTGIPETKAFMVNVTKA
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 chain1h0h Chain A Residue 1010 [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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PDB1h0h Gene Sequence and the 1.8 A Crystal Structure of the Tungsten-Containing Formate Dehydrogenase from Desulfovibrio Gigas
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C17 Y19 C20 V22 C24 L53 C54 K56 G57 P200 I201
Binding residue
(residue number reindexed from 1)		C17 Y19 C20 V22 C24 L53 C54 K56 G57 P200 I201
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K56 C158 H159 M371 R407 G408 E409
Catalytic site (residue number reindexed from 1) K56 C158 H159 M371 R407 G408 E409
Enzyme Commision number 1.17.1.9: formate dehydrogenase.
Gene Ontology
Molecular Function
GO:0008863 formate dehydrogenase (NAD+) activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0047111 formate dehydrogenase (cytochrome-c-553) activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061 anaerobic respiration
GO:0045333 cellular respiration
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1h0h, PDBe:1h0h, PDBj:1h0h
PDBsum1h0h
PubMed12220497
UniProtQ934F5|FDHA_MEGGA Formate dehydrogenase subunit alpha (Gene Name=fdhA)

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