Structure of PDB 7zmg Chain B Binding Site BS02

Receptor Information
>7zmg Chain B (length=456) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRTYGGLKDQDRIFQNLYGRYPPDLKHAKKMGDWYKTKEILLKGHDWIIG
EIKASGLRGRGGAGFPSGLKWSFMNFKDWDKDNKPRYLVVNADEGEPGTC
KDREIMRKDPHKLVEGCLVAGRAMNATAAYIYIRGEFYQEAAILQNAINE
AYAEGLIGKNACGSGYDFDVYIHRGAGAYVCGEETSLIESLEGKPGKPRL
KPPFPAAVGLFGCPSTVANVETVSVAPTICRRGGAWFASFGRERNHGTKL
FCISGHVNNPCTVEEEMSIPMRELIEKHCGGVRGGWDNLLAVIPGGSSTP
ILPKHICDDQLMDFDALKDSQSGLGTAAVIVMDKSTDVVRAISRLSHFYR
HESCGQCTPCREGSKWTDQIMKRFEKGMGRPREIDMLQELTKQVEGHTIC
ALGEAFAWPIQGLIRHFRPELEARMKKFAEETGGQALAGGWTHDSRQKGR
LVSPGM
Ligand information
Ligand IDFMN
InChIInChI=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
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain7zmg Chain B Residue 602 [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]
PDB7zmg Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		G110 G112 K121 N142 D144 Y230 G233 E234 E235 A269 N270 A452 L453
Binding residue
(residue number reindexed from 1)		G59 G61 K70 N91 D93 Y179 G182 E183 E184 A218 N219 A401 L402
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zmg, PDBe:7zmg, PDBj:7zmg
PDBsum7zmg
PubMed36427319
UniProtG0SA46

[Back to BioLiP]