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Related entries of code: 5qtu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ty6RCSB PDB    PDBbind18aa, >4TY6_2|Chain... *
4x6nRCSB PDB    PDBbind18aa, >4X6N_2|Chain... at 100%
5q0fRCSB PDB    PDBbind18aa, >5Q0F_2|Chain... at 100%
5qqoRCSB PDB    PDBbind18aa, >5QQO_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5qtu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCoagulation factor XI
Ligand NameQEV
EC.Number E.C.3.4.21.27
Resolution 2.53(Å)
Affinity (Kd/Ki/IC50)Ki=4.1nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 63: pp. 784-803
Ligand Properties
Formula C31H30ClFN6O4
Molecular Weight 605.059
Exact Mass 604.200
No. of atoms 73
No. of bonds 77
Polar Surface Area 127.24
LOGP Value 4.64      (Computed with XLOGP3)
7.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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