Structure of PDB 6tga Chain A Binding Site BS05

Receptor Information
>6tga Chain A (length=949) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPLDWTQDMGTPKREGAPVHLTIDGVEVTVPAGTSVLRAAAEAGISIPKL
CATDNVEPVGSCRLCMVEIEGMRGTPTSCTTPVAPGMRVHTQTPQLQKLR
RGVMELYISDHPLDCLTCAANGDCELQDMAGAVGLREVRYQAKDTHFARR
DATGPNPRYIPKDNSNPYFSYDPAKCIVCMRCVRACEEVQGTFALTVMGR
GFDARISPAAPDFLSSDCVSCGACVQACPTATLVEKSVERIGTPERKVVT
TCAYCGVGCSFEAHMLGDQLVRMVPWKGGAANRGHSCVKGRFAYGYATHQ
DRILKPMIRDKITDPWREVNWTEALDFTATRLRALRDSHGADALGVITSS
RCTNEETYLVQKLARAVFGTNNTDTCARVCHSPTGYGLKQTFGTSAGTQD
FDSVEETDLALVIGANPTDGHPVFASRLRKRLRAGAKLIVVDPRRIDLLN
TPHRGEAWHLQLKPGTNVAVMTAMAHVIVTEQIFDKRFIGDRCDWDEWAD
YAEFVANPEYAPEAVESLTGVPAGLLRQAARAYAAAPNAAIYYGLGVTEH
SQGSTTVIAIANLAMMTGNIGRPGVGVNPLRGQNNVQGSCDMGSFPHEFP
GYRHVSDDATRGLFERTWGVTLSSEPGLRIPNMLDAAVEGRFKALYVQGE
DILQSDPDTRHVSAGLAAMDLVIVHDLFLNETANYAHVFLPGSTFLEKDG
TFTNAERRINRVRRVMAPKAGFADWEVTQMLANALGAGWHYTHPSEIMAE
IAATTPGFAAVTYEMLDARGSVQWPCNEKAPEGSPIMHVEGFVRGKGRFI
RTAYLPTDEKTGPRFPLLLTTGRILSQYNVGAQTRRTENTVWHGEDRLEI
HPTDAETRGIRDGDWVRLASRAGETTLRATVTDRVSPGVVYTTFHHPDTQ
ANVVTTDTSDWATNCPEYKVTAVQVAASNGPSDWQQDYAAQAAAARRIE
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 chain6tga Chain A Residue 1006 [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]
PDB6tga Cryo-EM structures reveal intricate Fe-S cluster arrangement and charging in Rhodobacter capsulatus formate dehydrogenase.
Resolution3.26 Å
Binding residue
(original residue number in PDB)		C182 I183 V184 C185 M186 R187 C188 I212 C234 T238
Binding residue
(residue number reindexed from 1)		C176 I177 V178 C179 M180 R181 C182 I206 C228 T232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K295 C386 H387 L551 G588 Q589
Catalytic site (residue number reindexed from 1) K289 C380 H381 L545 G582 Q583
Enzyme Commision number 1.17.1.9: formate dehydrogenase.
Gene Ontology
Molecular Function
GO:0008863 formate dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015942 formate metabolic process
GO:0045333 cellular respiration
Cellular Component
GO:1990204 oxidoreductase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6tga, PDBe:6tga, PDBj:6tga
PDBsum6tga
PubMed32313256
UniProtD5AQH0

[Back to BioLiP]