Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 3eyl
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%
3g76RCSB PDB    PDBbind122aa, >3G76_1|Chains... at 95%
3hl5RCSB PDB    PDBbind95aa, >3HL5_1|Chains... at 95%
4ec4RCSB PDB    PDBbind122aa, >4EC4_1|Chains... at 95%
4hy0RCSB PDB    PDBbind125aa, >4HY0_1|Chains... at 93%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3eyl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman XIAP-BIR3 domain
Ligand NameSMK
EC.Number E.C.6.3.2.-
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=250nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg. Med. Chem., Vol.17, pp.5834-5856
Ligand Properties
Formula C29H41N5O3
Molecular Weight 507.668
Exact Mass 507.321
No. of atoms 78
No. of bonds 81
Polar Surface Area 133.79
LOGP Value 2.41      (Computed with XLOGP3)
1.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
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): P98170  
Entrez Gene IDNCBI Entrez Gene ID: 331  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com