Structure of PDB 8ugi Chain 1F Binding Site BS01
Receptor Information
>8ugi Chain 1F (length=432) Species:
9823
(Sus scrofa) [
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PKKTSFGSLKDEDRIFTNLYGRHDWRLKGAQSRGDWYKTKEILLKGPDWI
LGEVKTSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTCK
DREIIRHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIREA
YEAGLIGKNACGSGYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRLK
PPFPADVGVFGCPTTVANVETVAVSPTICRRGGAWFASFGRERNSGTKLF
NISGHVNHPCTVEEEMSVPLKELIEKHAGGVIGGWDNLLAVIPGGSSTPL
IPKSVCETVLMDFDALVQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYKH
ESCGQCTPCREGVDWMNKVMARFVKGDARPAEIDSLWEISKQIEGHTICA
LGDGAAWPVQGLIRHFRPELEERMQQFALQHQ
Ligand information
Ligand ID
FMN
InChI
InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKey
FVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01
N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
Formula
C17 H21 N4 O9 P
Name
FLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBL
CHEMBL1201794
DrugBank
DB03247
ZINC
ZINC000003831425
PDB chain
8ugi Chain 1F Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
8ugi
High-resolution in situ structures of mammalian respiratory supercomplexes.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
G67 G69 K78 N96 D98 Y184 G187 E188 V222 A223 N224 A406 L407
Binding residue
(residue number reindexed from 1)
G61 G63 K72 N90 D92 Y178 G181 E182 V216 A217 N218 A400 L401
Annotation score
1
Gene Ontology
Molecular Function
GO:0008137
NADH dehydrogenase (ubiquinone) activity
GO:0046872
metal ion binding
GO:0051287
NAD binding
GO:0051539
4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120
mitochondrial electron transport, NADH to ubiquinone
GO:0042775
mitochondrial ATP synthesis coupled electron transport
GO:1902600
proton transmembrane transport
Cellular Component
GO:0005739
mitochondrion
GO:0005743
mitochondrial inner membrane
GO:0005829
cytosol
GO:0045271
respiratory chain complex I
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:8ugi
,
PDBe:8ugi
,
PDBj:8ugi
PDBsum
8ugi
PubMed
38811722
UniProt
A0A4X1SZP7
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