Structure of PDB 1t0i Chain B Binding Site BS01

Receptor Information
>1t0i Chain B (length=177) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVGIIMGSVRAKRVCPEIAAYVKRTIENSKIQVVDLQQIALPLYEDDDEL
IPAQIKSVDEYADSKTRSWSRIVNALDIIVFVTPQYNWGYPAALKNAIDR
LYHEWHGKPALVVSYGGHGGSKCNDQLQEVLHGLKMNVIGGVAVKIPVGT
IPLPEDIVPQLSVHNEEILQLLASCIE
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 chain1t0i Chain B Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t0i Crystal Structure and Functional Characterization of Yeast YLR011wp, an Enzyme with NAD(P)H-FMN and Ferric Iron Reductase Activities
Resolution2.0 Å
Binding residue
(original residue number in PDB)
S9 R11 R14 V15 C16 P93 Q94 Y95 N96 W97 Y124
Binding residue
(residue number reindexed from 1)
S8 R10 R13 V14 C15 P84 Q85 Y86 N87 W88 Y115
Annotation score2
Enzymatic activity
Enzyme Commision number 1.5.1.39: FMN reductase [NAD(P)H].
Gene Ontology
Molecular Function
GO:0003955 NAD(P)H dehydrogenase (quinone) activity
GO:0008752 FMN reductase (NAD(P)H) activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0052873 FMN reductase (NADPH) activity
GO:0052874 FMN reductase (NADH) activity
Biological Process
GO:0006915 apoptotic process
GO:0034599 cellular response to oxidative stress
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:1t0i, PDBe:1t0i, PDBj:1t0i
PDBsum1t0i
PubMed15184374
UniProtQ07923|LOT6_YEAST NAD(P)H-dependent FMN reductase LOT6 (Gene Name=LOT6)

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