Structure of PDB 4bvv Chain A Binding Site BS01

Receptor Information
>4bvv Chain A (length=81) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DCMFGNGKGYRGKKATTVTGTPCQEWAAQEPHRHSTFIPGTNKWAGLEKN
YCRNPDGDINGPWCYTMNPRKLFDYCDIPLC
Ligand information
Ligand IDCPF
InChIInChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
InChIKeyMYSWGUAQZAJSOK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O
ACDLabs 12.01O=C(O)C=3C(=O)c1c(cc(c(F)c1)N2CCNCC2)N(C=3)C4CC4
OpenEye OEToolkits 1.7.0c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4
FormulaC17 H18 F N3 O3
Name1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID;
ciprofloxacin
ChEMBLCHEMBL8
DrugBankDB00537
ZINCZINC000000020220
PDB chain4bvv Chain A Residue 1081 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4bvv Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T35 D55 D57 W62 Y64 F72
Binding residue
(residue number reindexed from 1)		T36 D56 D58 W63 Y65 F73
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.-
External links
PDB RCSB:4bvv, PDBe:4bvv, PDBj:4bvv
PDBsum4bvv
PubMed
UniProtP08519|APOA_HUMAN Apolipoprotein(a) (Gene Name=LPA)

[Back to BioLiP]