Structure of PDB 7e5z Chain A Binding Site BS05

Receptor Information
>7e5z Chain A (length=775) Species: 272630 (Methylorubrum extorquens AM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IAFEFDGQQVEAQPGETIWAVAKRLGTHIPHLCHKPDPGYRPDGNCRACM
VEIEGERVLAASCKRTPAIGMKVKSATERATKARAMVLELLVADQPERAT
SHDPSSHFWVQADVLDVTESRFPAAERWTSDVSHPAMSVNLDACIQCNLC
VRACREVQVNDVIGMAYRAAGSKVVFDFDDPMGGSTCVACGECVQACPTG
ALMPAAYLDANQTRTVYPDREVKSLCPYCGVGCQVSYKVKDERIVYAEGV
NGPANQNRLCVKGRFGFDYVHHPHRLTVPLIPANPWTHFREATWEEALDR
AAGGLKAIRDTNGRKALAGFGSAKGSNEEAYLFQKLVRLGFGTNNVDHCT
RLCHASSVAALMEGLNSGAVTAPFSAALDAEVIVVIGANPTVNHPVAATF
LKNAVKQRGAKLIIMDPRRQTLSRHAYRHLAFRPGSDVAMLNAMLNVIVT
EGLYDEQYIAGYTENFEALREKIVDFTPEKMASVCGIDAETLREVARLYA
RAKSSLIFWGMGVSQHVHGTDNSRCLIALALITGQIGRPGTGLHPLRGQN
NVQGASDAGLIPMVYPDYQSVEKDAVRELFEEFWGQSLDPQKGLTVVEIM
RAIHAGEIRGMFVEGENPAMSDPDLNHARHALAMLDHLVVQDLFLTETAF
HADVVLPASAFAEKAGTFTNTDRRVQIAQPVVAPPGDARQDWWIIQELAR
RLDLDWNYGGPADIFAEMAQVMPSLNNITWERLEREGAVTYPVDAPDQPG
NEIIFYAGFPTESGRAKIVPAAIVP
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 chain7e5z Chain A Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e5z Dehydrogenase holoenzyme
Resolution3.6 Å
Binding residue
(original residue number in PDB)		C223 I232 C256 V257 A258 C259 C262
Binding residue
(residue number reindexed from 1)		C154 I163 C187 V188 A189 C190 C193
Annotation score1
Enzymatic activity
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:7e5z, PDBe:7e5z, PDBj:7e5z
PDBsum7e5z
PubMed
UniProtC5ATT7

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