Structure of PDB 8uv1 Chain A Binding Site BS01

Receptor Information
>8uv1 Chain A (length=435) 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
LCSEFKESMLTLGKESSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQTA
EKQNWLHSYFHKWSAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSANL
SKAAWGALEKNGTQLMIRSYELGVLFLPSAFGLDSFKVKQKFFAGATFPV
PYDLPPELYGSKDRPWIWNIPYVKAPDTHGNMWVP
Ligand information
Ligand IDXK6
InChIInChI=1S/C10H6FNO5S/c11-18(16,17)7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyHRNLMDOGOLJRKZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)C1=CNc2c(cccc2[S](F)(=O)=O)C1=O
ACDLabs 12.01FS(=O)(=O)c1cccc2c1NC=C(C2=O)C(=O)O
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)S(=O)(=O)F)NC=C(C2=O)C(=O)O
FormulaC10 H6 F N O5 S
Name8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8uv1 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8uv1 Structure of TDP1 complexed with compound IB01
Resolution1.83 Å
Binding residue
(original residue number in PDB)		H263 S400 P461 N516
Binding residue
(residue number reindexed from 1)		H102 S239 P294 N349
Annotation score1
External links
PDB RCSB:8uv1, PDBe:8uv1, PDBj:8uv1
PDBsum8uv1
PubMed
UniProtQ9NUW8|TYDP1_HUMAN Tyrosyl-DNA phosphodiesterase 1 (Gene Name=TDP1)

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