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: 1r1h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1dmtRCSB PDB    PDBbind696aa, >1DMT_1|Chain... *
1r1iRCSB PDB    PDBbind696aa, >1R1I_1|Chain... at 100%
1r1jRCSB PDB    PDBbind696aa, >1R1J_1|Chain... at 100%
2qpjRCSB PDB    PDBbind696aa, >2QPJ_1|Chain... at 100%
2yb9RCSB PDB    PDBbind696aa, >2YB9_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3b7rRCSB PDB    PDBbindBIR

Entry Information
PDB ID1r1h
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameneprilysin
Ligand NameBIR
EC.Number E.C.3.4.24.11
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Ki=1.2nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Acta Crystallogr., Sect.D v60 pp. 392-6, 2004
Ligand Properties
Formula C21H29N2O5P
Molecular Weight 420.439
Exact Mass 420.181
No. of atoms 58
No. of bonds 59
Polar Surface Area 148.09
LOGP Value -0.14      (Computed with XLOGP3)
1.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): P08473  
Entrez Gene IDNCBI Entrez Gene ID: 4311  
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