Structure of PDB 6tga Chain E Binding Site BS04

Receptor Information
>6tga Chain E (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 E Residue 1005 [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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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)		H117 C121 C124 A126 C130 T236 A237
Binding residue
(residue number reindexed from 1)		H111 C115 C118 A120 C124 T230 A231
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

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

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