Browse entries in the PDBbind-CN Database

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Related entries of code: 6itp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6itqRCSB PDB    PDBbind127aa, >6ITQ_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2v95RCSB PDB    PDBbindHCY
4p6xRCSB PDB    PDBbindHCY
5hgcRCSB PDB    PDBbindHCY
6nwlRCSB PDB    PDBbindHCY
6itqRCSB PDB    PDBbindHCY
6hggRCSB PDB    PDBbindHCY
6hgfRCSB PDB    PDBbindHCY
Entry Information
PDB ID6itp
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNbCor
Ligand NameHCY
EC.Number E.C.-.-.-.-
Resolution 1.57(Å)
Affinity (Kd/Ki/IC50)Kd=22.4uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Febs Lett. Vol. 593: pp. 1248-1256
Ligand Properties
Formula C21H32O5
Molecular Weight 364.476
Exact Mass 364.225
No. of atoms 58
No. of bonds 61
Polar Surface Area 94.83
LOGP Value 2.05      (Computed with XLOGP3)
1.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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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