Browse entries in the PDBbind-CN Database

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Related entries of code: 4hy0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1g3fRCSB PDB    PDBbind117aa, >1G3F_1|Chain... at 99%
1nw9RCSB PDB    PDBbind98aa, >1NW9_1|Chain... at 100%
1tfqRCSB PDB    PDBbind117aa, >1TFQ_1|Chain... at 99%
1tftRCSB PDB    PDBbind117aa, >1TFT_1|Chain... at 99%
2jk7RCSB PDB    PDBbind116aa, >2JK7_1|Chain... at 100%
2opyRCSB PDB    PDBbind106aa, >2OPY_1|Chain... at 100%
2vslRCSB PDB    PDBbind96aa, >2VSL_1|Chain... at 100%
3cm2RCSB PDB    PDBbind130aa, >3CM2_1|Chains... *
3cm7RCSB PDB    PDBbind130aa, >3CM7_1|Chains... at 100%
3eylRCSB PDB    PDBbind122aa, >3EYL_1|Chains... at 95%
3g76RCSB PDB    PDBbind122aa, >3G76_1|Chains... at 95%
3hl5RCSB PDB    PDBbind95aa, >3HL5_1|Chains... at 95%
4ec4RCSB PDB    PDBbind122aa, >4EC4_1|Chains... at 95%
5c0kRCSB PDB    PDBbind110aa, >5C0K_1|Chain... at 97%
5c3kRCSB PDB    PDBbind110aa, >5C3K_1|Chain... at 97%
5c7aRCSB PDB    PDBbind110aa, >5C7A_1|Chain... at 97%
5c7bRCSB PDB    PDBbind110aa, >5C7B_1|Chain... at 97%
5c7cRCSB PDB    PDBbind110aa, >5C7C_1|Chain... at 97%
5c7dRCSB PDB    PDBbind110aa, >5C7D_1|Chain... at 97%
5c83RCSB PDB    PDBbind110aa, >5C83_1|Chain... at 97%
5c84RCSB PDB    PDBbind110aa, >5C84_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4hy5RCSB PDB    PDBbind1AQ

Entry Information
PDB ID4hy0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE3 ubiquitin-protein ligase XIAP
Ligand Name1AQ
EC.Number E.C.6.3.2
Resolution 2.84(Å)
Affinity (Kd/Ki/IC50)IC50=200nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 1228-1246
Ligand Properties
Formula C31H47F2N5O5
Molecular Weight 607.732
Exact Mass 607.355
No. of atoms 90
No. of bonds 94
Polar Surface Area 118.02
LOGP Value 2.54      (Computed with XLOGP3)
2.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): P98170  
Entrez Gene IDNCBI Entrez Gene ID: 331  
ASDInformation of known allosteric effects of PDB entries

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