Structure of PDB 3p4s Chain A Binding Site BS02

Receptor Information
>3p4s Chain A (length=577) Species: 216592 (Escherichia coli 042) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQTFQADLAIVGAGGAGLRAAIAAAQANPNAKIALISKVYPMRSHTVAAE
GGSAAVAQDHDSFEYHFHDTVAGGDWLCEQDVVDYFVHHCPTEMTQLELW
GCPWSRRPDGSVNVRRFGGMKIERTWFAADKTGFHMLHTLFQTSLQFPQI
QRFDEHFVLDILVDDGHVRGLVAMNMMEGTLVQIRANAVVMATGGAGRVY
RYNTNGGIVTGDGMGMALSHGVPLRDMEFVQYHPTGLPGSGILMTEGCRG
EGGILVNKNGYRYLQDYGMGPETPLGEPKNKYMELGPRDKVSQAFWHEWR
KGNTISTPRGDVVYLDLRHLGEKKLHERLPFICELAKAYVGVDPVKEPIP
VRPTAHYTMGGIETDQNCETRIKGLFAVGECSSVGLHGANRLGSNSLAEL
VVFGRLAGEQATERAATAGNGNEAAIEAQAAGVEQRLKDLVNQDGGENWA
KIRDEMGLAMEEGCGIYRTPELMQKTIDKLAELQERFKRVRITDTSSVFN
TDLLYTIELGHGLNVAECMAHSAMARKESRGAHQRLDEGCTERDDVNFLK
HTLAFRDADGTTRLEYSDVKITTLPPA
Ligand information
Ligand ID3NP
InChIInChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
InChIKeyWBLZUCOIBUDNBV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C[N+](=O)[O-])C(=O)O
ACDLabs 10.04[O-][N+](=O)CCC(=O)O
CACTVS 3.341OC(=O)CC[N+]([O-])=O
FormulaC3 H5 N O4
Name3-NITROPROPANOIC ACID
ChEMBLCHEMBL451226
DrugBank
ZINCZINC000000895862
PDB chain3p4s Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p4s Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		F116 R287
Binding residue
(residue number reindexed from 1)		F117 R288
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) A47 F116 T203 Q230 H232 L242 E245 R248 R287 H355 Y356 R390
Catalytic site (residue number reindexed from 1) A48 F117 T204 Q231 H233 L243 E246 R249 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:3p4s, PDBe:3p4s, PDBj:3p4s
PDBsum3p4s
PubMed21098488
UniProtP00363|FRDA_ECOLI Fumarate reductase flavoprotein subunit (Gene Name=frdA)

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