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Related entries of code: 3ue4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1iepRCSB PDB    PDBbind293aa, >1IEP_1|Chains... at 96%
2e2bRCSB PDB    PDBbind293aa, >2E2B_1|Chains... at 96%
2f4jRCSB PDB    PDBbind287aa, >2F4J_1|Chain... at 98%
2hiwRCSB PDB    PDBbind287aa, >2HIW_1|Chains... at 98%
2hyyRCSB PDB    PDBbind273aa, >2HYY_1|Chains... at 99%
2hz0RCSB PDB    PDBbind270aa, >2HZ0_1|Chains... at 99%
2hz4RCSB PDB    PDBbind273aa, >2HZ4_1|Chains... at 99%
2hziRCSB PDB    PDBbind277aa, >2HZI_1|Chains... at 98%
2hznRCSB PDB    PDBbind293aa, >2HZN_1|Chain... at 96%
2qohRCSB PDB    PDBbind288aa, >2QOH_1|Chains... at 98%
2v7aRCSB PDB    PDBbind286aa, >2V7A_1|Chains... at 98%
2z60RCSB PDB    PDBbind288aa, >2Z60_1|Chain... at 98%
3ik3RCSB PDB    PDBbind288aa, >3IK3_1|Chains... at 98%
3k5vRCSB PDB    PDBbind293aa, >3K5V_1|Chains... at 96%
3kf4RCSB PDB    PDBbind288aa, >3KF4_1|Chains... at 98%
3kfaRCSB PDB    PDBbind288aa, >3KFA_1|Chains... at 98%
3ms9RCSB PDB    PDBbind293aa, >3MS9_1|Chains... at 96%
3mssRCSB PDB    PDBbind293aa, >3MSS_1|Chains... at 96%
3oxzRCSB PDB    PDBbind284aa, >3OXZ_1|Chain... at 99%
3oy3RCSB PDB    PDBbind284aa, >3OY3_1|Chains... at 99%
3pyyRCSB PDB    PDBbind298aa, >3PYY_1|Chains... *
3qriRCSB PDB    PDBbind277aa, >3QRI_1|Chains... at 97%
3qrjRCSB PDB    PDBbind277aa, >3QRJ_1|Chains... at 97%
3qrkRCSB PDB    PDBbind277aa, >3QRK_1|Chain... at 97%
4twpRCSB PDB    PDBbind271aa, >4TWP_1|Chains... at 99%
4wa9RCSB PDB    PDBbind286aa, >4WA9_1|Chains... at 99%
4yc8RCSB PDB    PDBbind287aa, >4YC8_1|Chains... at 98%
5hu9RCSB PDB    PDBbind277aa, >5HU9_1|Chain... at 98%
6hd4RCSB PDB    PDBbind293aa, >6HD4_1|Chains... at 96%
6hd6RCSB PDB    PDBbind293aa, >6HD6_1|Chains... at 96%
6npvRCSB PDB    PDBbind298aa, >6NPV_1|Chains... at 100%
6npeRCSB PDB    PDBbind298aa, >6NPE_1|Chains... at 100%
6npuRCSB PDB    PDBbind298aa, >6NPU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6op9RCSB PDB    PDBbindDB8
4qmnRCSB PDB    PDBbindDB8
5i9xRCSB PDB    PDBbindDB8
5vc3RCSB PDB    PDBbindDB8
5vcyRCSB PDB    PDBbindDB8

Entry Information
PDB ID3ue4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAbl tyrosine kinase domain
Ligand NameDB8
EC.Number E.C.2.7.10.2
Resolution 2.42(Å)
Affinity (Kd/Ki/IC50)IC50=1.1nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2004) J. Med. Chem., Vol.47, pp.1599-1601
Ligand Properties
Formula C26H31Cl2N5O3
Molecular Weight 532.462
Exact Mass 531.180
No. of atoms 67
No. of bonds 70
Polar Surface Area 85.28
LOGP Value 5.38      (Computed with XLOGP3)
5.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
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): P00519  
Entrez Gene IDNCBI Entrez Gene ID: 25  
ASDInformation of known allosteric effects of PDB entries

 
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