Structure of PDB 5e7n Chain A Binding Site BS01

Receptor Information
>5e7n Chain A (length=123) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMVGQLSRGAIAAIMQKGDTNIKPILQVINIRPITTGNSPPRYRLLMS
DGLNTLSSFMLATQLNPLVEEEQLSSNCVCQIHRFIVNTLKDGRRVVILM
ELEVLKSAEAVGVKIGNPVPYNE
Ligand information
Ligand ID5KR
InChIInChI=1S/C21H17BrN2O5S/c1-13-6-7-14(20(25)23-18-5-3-2-4-17(18)21(26)27)12-19(13)30(28,29)24-16-10-8-15(22)9-11-16/h2-12,24H,1H3,(H,23,25)(H,26,27)
InChIKeyUMIZGACLAWLSMJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3ccccc3C(=O)O
CACTVS 3.385Cc1ccc(cc1[S](=O)(=O)Nc2ccc(Br)cc2)C(=O)Nc3ccccc3C(O)=O
ACDLabs 12.01c1(cc(c(C)cc1)S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3c(cccc3)C(O)=O
FormulaC21 H17 Br N2 O5 S
Name2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid
ChEMBLCHEMBL1725519
DrugBank
ZINCZINC000003020578
PDB chain5e7n Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5e7n Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A.
Resolution1.21 Å
Binding residue
(original residue number in PDB)		I33 R41 R43 S55 M57 I83 N85 L87 I95
Binding residue
(residue number reindexed from 1)		I36 R44 R46 S58 M60 I86 N88 L90 I98
Annotation score1
Binding affinityMOAD: Kd=30uM
PDBbind-CN: -logKd/Ki=6.09,Kd=0.81uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006260 DNA replication
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5e7n, PDBe:5e7n, PDBj:5e7n
PDBsum5e7n
PubMed26748787
UniProtP27694|RFA1_HUMAN Replication protein A 70 kDa DNA-binding subunit (Gene Name=RPA1)

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