Structure of PDB 1l0v Chain M Binding Site BS02
Receptor Information
>1l0v Chain M (length=577) Species:
562
(Escherichia coli) [
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MQTFQADLAIVGAGGAGLRAAIAAAQANPNAKIALISKVYPMRSHTVAAE
GGSAAVAQDHDSFEYHFHDTVAGGDWLCEQDVVDYFVHHCPTEMTQLELW
GCPWSRRPDGSVNVRRFGGMKIERTWFAADKTGFHMLHTLFQTSLQFPQI
QRFDEHFVLDILVDDGHVRGLVAMNMMEGTLVQIRANAVVMATGGAGRVY
RYNTNGGIVTGDGMGMALSHGVPLRDMEFVQYHPTGLPGSGILMTEGCRG
EGGILVNKNGYRYLQDYGMGPETPLGEPKNKYMELGPRDKVSQAFWHEWR
KGNTISTPRGDVVYLDLRHLGEKKLHERLPFICELAKAYVGVDPVKEPIP
VRPTAHYTMGGIETDQNCETRIKGLFAVGECSSVGLHGANRLGSNSLAEL
VVFGRLAGEQATERAATAGNGNEAAIEAQAAGVEQRLKDLVNQDGGENWA
KIRDEMGLAMEEGCGIYRTPELMQKTIDKLAELQERFKRVRITDTSSVFN
TDLLYTIELGHGLNVAECMAHSAMARKESRGAHQRLDEGCTERDDVNFLK
HTLAFRDADGTTRLEYSDVKITTLPPA
Ligand information
Ligand ID
FAD
InChI
InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKey
VWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
Software
SMILES
CACTVS 3.341
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04
O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
Formula
C27 H33 N9 O15 P2
Name
FLAVIN-ADENINE DINUCLEOTIDE
ChEMBL
CHEMBL1232653
DrugBank
DB03147
ZINC
ZINC000008215434
PDB chain
1l0v Chain M Residue 803 [
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Receptor-Ligand Complex Structure
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PDB
1l0v
Crystallographic studies of the Escherichia coli quinol-fumarate reductase with inhibitors bound to the quinol-binding site.
Resolution
3.3 Å
Binding residue
(original residue number in PDB)
G13 G14 K37 H44 T45 A48 E49 G50 G51 F156 V157 T192 N204 D211 H355 Y356 E379 S393 S395 L396 L399
Binding residue
(residue number reindexed from 1)
G14 G15 K38 H45 T46 A49 E50 G51 G52 F157 V158 T193 N205 D212 H356 Y357 E380 S394 S396 L397 L400
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
F116 H232 R287 H355 Y356 R390
Catalytic site (residue number reindexed from 1)
F117 H233 R288 H356 Y357 R391
Enzyme Commision number
1.3.5.1
: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000104
succinate dehydrogenase activity
GO:0000166
nucleotide binding
GO:0005515
protein binding
GO:0008177
succinate dehydrogenase (quinone) activity
GO:0009055
electron transfer activity
GO:0016491
oxidoreductase activity
GO:0016627
oxidoreductase activity, acting on the CH-CH group of donors
GO:0050660
flavin adenine dinucleotide binding
GO:0071949
FAD binding
Biological Process
GO:0006113
fermentation
GO:0006974
DNA damage response
GO:0009061
anaerobic respiration
GO:0019645
anaerobic electron transport chain
GO:0022900
electron transport chain
GO:0044780
bacterial-type flagellum assembly
Cellular Component
GO:0005829
cytosol
GO:0005886
plasma membrane
GO:0016020
membrane
GO:0045283
fumarate reductase complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1l0v
,
PDBe:1l0v
,
PDBj:1l0v
PDBsum
1l0v
PubMed
11850430
UniProt
P00363
|FRDA_ECOLI Fumarate reductase flavoprotein subunit (Gene Name=frdA)
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