Browse entries in the PDBbind-CN Database

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Related entries of code: 4gqr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1u2yRCSB PDB    PDBbind496aa, >1U2Y_1|Chain... *
1u33RCSB PDB    PDBbind496aa, >1U33_1|Chain... at 100%
1xd0RCSB PDB    PDBbind496aa, >1XD0_1|Chain... at 100%
3oldRCSB PDB    PDBbind496aa, >3OLD_1|Chain... at 99%
3oleRCSB PDB    PDBbind496aa, >3OLE_1|Chain... at 99%
3olgRCSB PDB    PDBbind496aa, >3OLG_1|Chain... at 99%
3oliRCSB PDB    PDBbind496aa, >3OLI_1|Chain... at 99%
4gqqRCSB PDB    PDBbind496aa, >4GQQ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2o63RCSB PDB    PDBbindMYC
5yunRCSB PDB    PDBbindMYC
6m88RCSB PDB    PDBbindMYC

Entry Information
PDB ID4gqr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePancreatic alpha-amylase
Ligand NameMYC
EC.Number E.C.3.2.1.1
Resolution 1.2(Å)
Affinity (Kd/Ki/IC50)Ki=110uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 10177-10186
Ligand Properties
Formula C15H10O8
Molecular Weight 318.235
Exact Mass 318.038
No. of atoms 33
No. of bonds 35
Polar Surface Area 151.59
LOGP Value 1.81      (Computed with XLOGP3)
1.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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): P04746  
Entrez Gene IDNCBI Entrez Gene ID: 279  
ASDInformation of known allosteric effects of PDB entries

 
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