Browse entries in the PDBbind-CN Database

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Related entries of code: 1q72
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mh5RCSB PDB    PDBbind219aa, >1MH5_1|Chains... *
1mj7RCSB PDB    PDBbind219aa, >1MJ7_1|Chain... at 96%
1mjjRCSB PDB    PDBbind219aa, >1MJJ_1|Chains... at 99%
1qygRCSB PDB    PDBbind218aa, >1QYG_1|Chain... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1i7zRCSB PDB    PDBbindCOC
2pgzRCSB PDB    PDBbindCOC

Entry Information
PDB ID1q72
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameantibody fab fragment
Ligand NameCOC
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=0.14uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v349 pp. 570-82, 2005
Ligand Properties
Formula C17H22NO4
Molecular Weight 304.361
Exact Mass 304.155
No. of atoms 44
No. of bonds 46
Polar Surface Area 57.04
LOGP Value 2.49      (Computed with XLOGP3)
2.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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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