Structure of PDB 6mz0 Chain B Binding Site BS01

Receptor Information
>6mz0 Chain B (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 IDK7A
InChIInChI=1S/C6H4N2O5/c9-2-1-7-3(5(10)11)4(8-2)6(12)13/h1H,(H,8,9)(H,10,11)(H,12,13)
InChIKeyIEFXAUUVZLXLNL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(nc(c(n1)C(=O)O)C(=O)O)O
CACTVS 3.385OC(=O)c1ncc(O)nc1C(O)=O
ACDLabs 12.01c1(c(C(O)=O)ncc(n1)O)C(O)=O
FormulaC6 H4 N2 O5
Name5-hydroxypyrazine-2,3-dicarboxylic acid
ChEMBL
DrugBank
ZINCZINC000015446196
PDB chain6mz0 Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6mz0 Structure of Tdp1 catalytic domain in complex with compound XZ530
Resolution1.969 Å
Binding residue
(original residue number in PDB)		H263 N283 P461 H493 K495
Binding residue
(residue number reindexed from 1)		H102 N122 P295 H327 K329
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:6mz0, PDBe:6mz0, PDBj:6mz0
PDBsum6mz0
PubMed
UniProtQ9NUW8|TYDP1_HUMAN Tyrosyl-DNA phosphodiesterase 1 (Gene Name=TDP1)

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