Structure of PDB 4yry Chain A Binding Site BS01

Receptor Information
>4yry Chain A (length=276) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGGTALNEIVKKVKIAEDVFDFWIHSPSVSKEARPGQFVVIRLHEKGERI
PLTVADTKPEEGLFRMVVKVVGKTTHELSLKKEGDTILDVVGPLGNPSEI
ENYGNVLLVGGGVGIATLYPIAKALKEAGNNITTVLGARTKDYLIMVDEF
KEISDVLLVTDDGSAGMKGVVTDAMDKLFRERKFDICWAVGPTIMMKFCT
LKAREFGVPIWVSLNPIMVDGTGMCGACRVTVSGQIKFACVDGPEFRGEE
VDWDELLKRLAQYREQEKISYERFLK
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain4yry Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yry Insights into Flavin-based Electron Bifurcation via the NADH-dependent Reduced Ferredoxin:NADP Oxidoreductase Structure.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		M218 D220 G221 G223 C225 G226 A227 C228 C240
Binding residue
(residue number reindexed from 1)		M218 D220 G221 G223 C225 G226 A227 C228 C240
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0006221 pyrimidine nucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4yry, PDBe:4yry, PDBj:4yry
PDBsum4yry
PubMed26139605
UniProtQ9X1X4|PYRKH_THEMA Dihydroorotate dehydrogenase B (NAD(+)), electron transfer subunit homolog (Gene Name=TM_1639)

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