Structure of PDB 6n0o Chain A Binding Site BS01

Receptor Information
>6n0o Chain A (length=438) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPFQFYLTRVSGVKPKYNSGALHIKDILSPLFGTLVSSAQFNYCFDVDWL
VKQYPPEFRKKPILLVHGDKREAKAHLHAQAKPYENISLCQAKLDIAFGT
HHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSPLYPRIADGTHK
SGESPTHFKADLISYLMAYNAPSLKEWIDVIHKHDLSETNVYLIGSTPGR
FQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGADESKW
LCSEFKESMLTLGKESSSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQT
AEKQNWLHSYFHKWSAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSAN
LSKAAWGALEKNGTQLMIRSYELGVLFLPSAFGLDSFKVKQKFFAGPMAT
FPVPYDLPPELYGSKDRPWIWNIPYVKAPDTHGNMWVP
Ligand information
Ligand IDK8G
InChIInChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeySLBQXWXKPNIVSQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(O)(c1c(C(O)=O)ccc([N+](=O)[O-])c1)=O
CACTVS 3.385OC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O
OpenEye OEToolkits 2.0.6c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O
FormulaC8 H5 N O6
Name4-nitrobenzene-1,2-dicarboxylic acid
ChEMBLCHEMBL2179898
DrugBank
ZINCZINC000000157056
PDB chain6n0o Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6n0o Crystal structure of Tdp1 catalytic domain
Resolution1.943 Å
Binding residue
(original residue number in PDB)		Y204 H263 K265 N283 P461 H493 K495 N516
Binding residue
(residue number reindexed from 1)		Y43 H102 K104 N122 P295 H327 K329 N350
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.-
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0006281 DNA repair
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:6n0o, PDBe:6n0o, PDBj:6n0o
PDBsum6n0o
PubMed
UniProtQ9NUW8|TYDP1_HUMAN Tyrosyl-DNA phosphodiesterase 1 (Gene Name=TDP1)

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