Structure of PDB 1t0i Chain B Binding Site BS01
Receptor Information
>1t0i Chain B (length=177) Species:
4932
(Saccharomyces cerevisiae) [
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KVGIIMGSVRAKRVCPEIAAYVKRTIENSKIQVVDLQQIALPLYEDDDEL
IPAQIKSVDEYADSKTRSWSRIVNALDIIVFVTPQYNWGYPAALKNAIDR
LYHEWHGKPALVVSYGGHGGSKCNDQLQEVLHGLKMNVIGGVAVKIPVGT
IPLPEDIVPQLSVHNEEILQLLASCIE
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
1t0i Chain B Residue 200 [
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Receptor-Ligand Complex Structure
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PDB
1t0i
Crystal Structure and Functional Characterization of Yeast YLR011wp, an Enzyme with NAD(P)H-FMN and Ferric Iron Reductase Activities
Resolution
2.0 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 score
2
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
PDBsum
1t0i
PubMed
15184374
UniProt
Q07923
|LOT6_YEAST NAD(P)H-dependent FMN reductase LOT6 (Gene Name=LOT6)
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