Browse entries in the PDBbind-CN Database

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Related entries of code: 3krw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ah8RCSB PDB    PDBbind78aa, >3AH8_3|Chain... *
3krxRCSB PDB    PDBbind74aa, >3KRX_3|Chain... at 90%
3pvuRCSB PDB    PDBbind74aa, >3PVU_3|Chain... at 90%
3pvwRCSB PDB    PDBbind74aa, >3PVW_3|Chain... at 90%
4mk0RCSB PDB    PDBbind59aa, >4MK0_3|Chain... at 100%
4pnkRCSB PDB    PDBbind71aa, >4PNK_3|Chain... at 100%
5he0RCSB PDB    PDBbind71aa, >5HE0_3|Chain... at 98%
5he1RCSB PDB    PDBbind71aa, >5HE1_3|Chain... at 100%
5he2RCSB PDB    PDBbind71aa, >5HE2_3|Chain... at 100%
5he3RCSB PDB    PDBbind71aa, >5HE3_3|Chain... at 98%
5ukkRCSB PDB    PDBbind57aa, >5UKK_3|Chain... at 100%
5uklRCSB PDB    PDBbind62aa, >5UKL_3|Chain... at 98%
5ukmRCSB PDB    PDBbind71aa, >5UKM_3|Chain... at 98%
5wg3RCSB PDB    PDBbind71aa, >5WG3_3|Chain... at 100%
5wg4RCSB PDB    PDBbind71aa, >5WG4_3|Chain... at 100%
5wg5RCSB PDB    PDBbind71aa, >5WG5_3|Chain... at 100%
6c2yRCSB PDB    PDBbind77aa, >6C2Y_3|Chain... at 92%
6gdgRCSB PDB    PDBbind71aa, >6GDG_3|Chain... at 100%
6n4bRCSB PDB    PDBbind71aa, >6N4B_3|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3krxRCSB PDB    PDBbindBA1
Entry Information
PDB ID3krw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman G protein-coupled receptor kinase 2 (GRK2) with Gbetgamma subunits
Ligand NameBA1
EC.Number E.C.2.7.11.15
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=42nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J. Med. Chem., Vol.53, pp.1867-1870
Ligand Properties
Formula C28H27N2O10
Molecular Weight 551.521
Exact Mass 551.167
No. of atoms 67
No. of bonds 70
Polar Surface Area 207.3
LOGP Value 1.74      (Computed with XLOGP3)
3.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 12
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 ACUniProt accession number (AC): P25098  P62871  P63212  
Entrez Gene IDNCBI Entrez Gene ID: 156  281201  281203  
ASDInformation of known allosteric effects of PDB entries
 
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