Structure of PDB 8uv1 Chain A Binding Site BS02

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 702 [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)		Y204 H263 S399 S459 P461 H493 K495 N516
Binding residue
(residue number reindexed from 1)		Y43 H102 S238 S292 P294 H326 K328 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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