Structure of PDB 5zyn Chain B Binding Site BS01

Receptor Information
>5zyn Chain B (length=471) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASMKQPVVVIGSGLAGLTTSNRLISKYRIPVVLLDKAASIGGNSIKASSG
INGAHTDTQQNLKVMDTPELFLKDTLHSAKGRGVPSLMDKLTKESKSAIR
WLQTEFDLKLDLLAQLGGHSVPRTHRSSGKLPPGFEIVQALSKKLKDISS
KDSNLVQIMLNSEVVDIELDNQGHVTGVVYMDENGNRKIMKSHHVVFCSG
GFGYSKEMLKEYSPNLIHLPTTNGKQTTGDGQKILSKLGAELIDMDQVQV
HPTGFIDPNDRENNWKFLAAEALRGLGGILLHPTTGRRFTNELSTRDTVT
MEIQSKCPKNDNRALLVMSDKVYENYTNNINFYMSKNLIKKVSINDLIRQ
YDLQTTASELVTELKSYSDVNTKDTFDRPLIINAFDKDISTESTVYVGEV
TPVVHFTMGGVKINEKSQVIKKNSESVLSNGIFAAGEVSGGVHGANRLGG
SSLLECVVFGKTAADNIAKLY
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 chain5zyn Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5zyn Molecular basis of maintaining an oxidizing environment under anaerobiosis by soluble fumarate reductase.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		K76 P162 W295 F297 N359 F362
Binding residue
(residue number reindexed from 1)		K46 P132 W265 F267 N329 F332
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L146 Q279 H281 L298 E301 R304 R326 H435 F436 R477
Catalytic site (residue number reindexed from 1) L116 Q249 H251 L268 E271 R274 R296 H405 F406 R447
Enzyme Commision number 1.3.1.6: fumarate reductase (NADH).
Gene Ontology
Molecular Function
GO:0010181 FMN binding
GO:0016156 fumarate reductase (NADH) activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0034975 protein folding in endoplasmic reticulum
GO:0046443 FAD metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005783 endoplasmic reticulum

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5zyn, PDBe:5zyn, PDBj:5zyn
PDBsum5zyn
PubMed30451826
UniProtP21375|OSM1_YEAST Fumarate reductase 2 (Gene Name=OSM1)

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