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: 4hup
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1br5RCSB PDB    PDBbind267aa, >1BR5_1|Chain... at 100%
1br6RCSB PDB    PDBbind268aa, >1BR6_1|Chain... at 99%
1il3RCSB PDB    PDBbind267aa, >1IL3_1|Chain... at 100%
1il4RCSB PDB    PDBbind267aa, >1IL4_1|Chain... at 100%
1il5RCSB PDB    PDBbind267aa, >1IL5_1|Chains... at 100%
1il9RCSB PDB    PDBbind267aa, >1IL9_1|Chain... at 100%
2p8nRCSB PDB    PDBbind268aa, >2P8N_1|Chain... at 99%
3ej5RCSB PDB    PDBbind257aa, >3EJ5_1|Chain... at 99%
3hioRCSB PDB    PDBbind268aa, >3HIO_1|Chain... at 99%
3px8RCSB PDB    PDBbind258aa, >3PX8_1|Chain... at 100%
3px9RCSB PDB    PDBbind258aa, >3PX9_1|Chain... at 100%
4esiRCSB PDB    PDBbind267aa, >4ESI_1|Chain... at 100%
4huoRCSB PDB    PDBbind267aa, >4HUO_1|Chain... at 100%
4hv3RCSB PDB    PDBbind268aa, >4HV3_1|Chain... at 99%
4hv7RCSB PDB    PDBbind267aa, >4HV7_1|Chain... at 100%
4mx1RCSB PDB    PDBbind268aa, >4MX1_1|Chain... at 99%
4mx5RCSB PDB    PDBbind268aa, >4MX5_1|Chain... at 99%
5gu4RCSB PDB    PDBbind301aa, >5GU4_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4hup
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRicin
Ligand Name19M
EC.Number E.C.3.2.2.22
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=15uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 56: pp. 320-329
Ligand Properties
Formula C27H27N8O6
Molecular Weight 559.553
Exact Mass 559.205
No. of atoms 68
No. of bonds 71
Polar Surface Area 224.62
LOGP Value 2.69      (Computed with XLOGP3)
-1.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 14
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): P02879  
Entrez Gene IDNCBI Entrez Gene ID: 8261245  
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