Browse entries in the PDBbind-CN Database

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Related entries of code: 2cgr
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
1etzRCSB PDB    PDBbindGAS

Entry Information
PDB ID2cgr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameantibody fab
Ligand NameGAS
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=53nM
Release Year1994
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v236 pp. 247-74, 1994
Ligand Properties
Formula C23H21N4O2
Molecular Weight 385.438
Exact Mass 385.166
No. of atoms 50
No. of bonds 52
Polar Surface Area 99.12
LOGP Value 4.47      (Computed with XLOGP3)
2.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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 ACUniProt accession number (AC): A2P1G9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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