Structure of PDB 1h0h Chain K Binding Site BS04

Receptor Information
>1h0h Chain K (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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1h0h Chain K Residue 1100 [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]
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)		T358 K360 K363 L393 G394 N395
Binding residue
(residue number reindexed from 1)		T358 K360 K363 L393 G394 N395
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C158 M371 R407 G408 E409
Catalytic site (residue number reindexed from 1) C158 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

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

[Back to BioLiP]