Structure of PDB 2bpo Chain A Binding Site BS02
Receptor Information
>2bpo Chain A (length=641) Species:
4932
(Saccharomyces cerevisiae) [
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NRDIAQVVTENNKNYLVLYASQTGTAEGFAKAFSKELVAKFNLNVMCADV
ENYDFESLNDVPVIVSIFISTYGEGDFPDGAVNFEDFICNAEAGALSNLR
YNMFGLGNSTYEFFNGAAKKAEKHLSAAGAIRLGKLGEADDGAGTTDEDY
MAWKDSILEVLKDELHLDEQEAKFTSQFQYTVLNEITDSMSLGEPSAHYL
PSHQLNRNADGIQLGPFDLSQPYIAPIVKSRELFSSNDRNCIHSEFDLSG
SNIKYSTGDHLAVWPSNPLEKVEQFLSIFNLDPETIFDLKPLDPTVKVPF
PTPTTIGAAIKHYLEITGPVSRQLFSSLIQFAPNADVKEKLTLLSKDKDQ
FAVEITSKYFNIADALKYLSDGAKWDTVPMQFLVESVPQMTPRYYSISSS
SLSEKQTVHVTSIVENFPNPELPDAPPVVGVTTNLLRNIQLAQNNVNIAE
TNLPVHYDLNGPRKLFANYKLPVHVRRSNFRLPSNPSTPVIMIGPGTGVA
PFRGFIRERVAFLESQKNVSLGKHILFYGSRNTDDFLYQDEWPEYAKKLD
GSFEMVVAHSRLPNTKKVYVQDKLKDYEDQVFEMINNGAFIYVCGDAKGM
AKGVSTALVGILSRGKSITTDEATELIKMLKTSGRYQEDVW
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
2bpo Chain A Residue 751 [
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Receptor-Ligand Complex Structure
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PDB
2bpo
Crystal Structure of the Yeast Cpr Triple Mutant: D74G, Y75F, K78A.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
S67 T69 G70 T71 A72 S116 T117 Y118 L152 G153 N154 Y157 F160 V690
Binding residue
(residue number reindexed from 1)
S21 T23 G24 T25 A26 S70 T71 Y72 L106 G107 N108 Y111 F114 V640
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
Y441 S442 C644 D689 W691
Catalytic site (residue number reindexed from 1)
Y395 S396 C594 D639 W641
Enzyme Commision number
1.6.2.4
: NADPH--hemoprotein reductase.
Gene Ontology
Molecular Function
GO:0003958
NADPH-hemoprotein reductase activity
GO:0003959
NADPH dehydrogenase activity
GO:0009055
electron transfer activity
GO:0010181
FMN binding
GO:0016491
oxidoreductase activity
GO:0050660
flavin adenine dinucleotide binding
GO:0050661
NADP binding
Biological Process
GO:0006696
ergosterol biosynthetic process
GO:0016126
sterol biosynthetic process
Cellular Component
GO:0005737
cytoplasm
GO:0005739
mitochondrion
GO:0005741
mitochondrial outer membrane
GO:0005783
endoplasmic reticulum
GO:0005789
endoplasmic reticulum membrane
GO:0005829
cytosol
GO:0005886
plasma membrane
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:2bpo
,
PDBe:2bpo
,
PDBj:2bpo
PDBsum
2bpo
PubMed
UniProt
P16603
|NCPR_YEAST NADPH--cytochrome P450 reductase (Gene Name=NCP1)
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