Browse entries in the PDBbind-CN Database

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Related entries of code: 2x95
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1j36RCSB PDB    PDBbind607aa, >1J36_1|Chains... *
1j37RCSB PDB    PDBbind607aa, >1J37_1|Chains... at 100%
2x8zRCSB PDB    PDBbind598aa, >2X8Z_1|Chain... at 98%
2x91RCSB PDB    PDBbind598aa, >2X91_1|Chain... at 98%
2x96RCSB PDB    PDBbind598aa, >2X96_1|Chain... at 98%
2x97RCSB PDB    PDBbind598aa, >2X97_1|Chain... at 98%
2xhmRCSB PDB    PDBbind598aa, >2XHM_1|Chain... at 98%
4aa1RCSB PDB    PDBbind598aa, >4AA1_1|Chain... at 98%
4ca7RCSB PDB    PDBbind598aa, >4CA7_1|Chain... at 98%
4ca8RCSB PDB    PDBbind598aa, >4CA8_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2x95
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameANGIOTENSIN CONVERTING ENZYME
Ligand NameX95
EC.Number E.C.3.4.15.1
Resolution 1.96(Å)
Affinity (Kd/Ki/IC50)Ki=11.3uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Mol.Biol. Vol. 400: pp. 502-517
Ligand Properties
Formula C27H36N4O5
Molecular Weight 496.599
Exact Mass 496.269
No. of atoms 72
No. of bonds 74
Polar Surface Area 163.74
LOGP Value 0.17      (Computed with XLOGP3)
1.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 9
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): Q10714  
Entrez Gene IDNCBI Entrez Gene ID: 34805  
ASDInformation of known allosteric effects of PDB entries

 
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