Browse entries in the PDBbind-CN Database

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Related entries of code: 6mkq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4s2iRCSB PDB    PDBbindNXL
4wm9RCSB PDB    PDBbindNXL
4wmcRCSB PDB    PDBbindNXL
5ne3RCSB PDB    PDBbindNXL
5za2RCSB PDB    PDBbindNXL
6q5bRCSB PDB    PDBbindNXL
6g9fRCSB PDB    PDBbindNXL
6d3gRCSB PDB    PDBbindNXL
5gwaRCSB PDB    PDBbindNXL
Entry Information
PDB ID6mkq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameVCC-1
Ligand NameNXL
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=0.686uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Antimicrob. Agents Chemother. Vol. 63: pp. -
Ligand Properties
Formula C7H16N3O6S
Molecular Weight 270.283
Exact Mass 270.076
No. of atoms 33
No. of bonds 33
Polar Surface Area 175.23
LOGP Value -4.23      (Computed with XLOGP3)
-0.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 1
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 ACUniProt accession number (AC): A0A0U3IB62  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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