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: 1me3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1me4RCSB PDB    PDBbind215aa, >1ME4_1|Chain... at 99%
1u9qRCSB PDB    PDBbind215aa, >1U9Q_1|Chain... at 99%
2oz2RCSB PDB    PDBbind215aa, >2OZ2_1|Chains... at 99%
3hd3RCSB PDB    PDBbind215aa, >3HD3_1|Chains... at 100%
3i06RCSB PDB    PDBbind215aa, >3I06_1|Chain... at 99%
3iutRCSB PDB    PDBbind221aa, >3IUT_1|Chain... *
3kkuRCSB PDB    PDBbind215aa, >3KKU_1|Chain... at 99%
3lxsRCSB PDB    PDBbind215aa, >3LXS_1|Chains... at 99%
4klbRCSB PDB    PDBbind215aa, >4KLB_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1me3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecruzipain
Ligand NameP10
EC.Number E.C.3.4.22.0
Resolution 1.2(Å)
Affinity (Kd/Ki/IC50)Ki=64.6nM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem. v11 pp. 21-9, 2003
Ligand Properties
Formula C27H29N3O5
Molecular Weight 475.536
Exact Mass 475.211
No. of atoms 64
No. of bonds 66
Polar Surface Area 117.62
LOGP Value 3.15      (Computed with XLOGP3)
3.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
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): P25779  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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