Browse entries in the PDBbind-CN Database

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Related entries of code: 2x91
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%
2x95RCSB PDB    PDBbind599aa, >2X95_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
1j36RCSB PDB    PDBbindLPR
1o86RCSB PDB    PDBbindLPR
2c6nRCSB PDB    PDBbindLPR
Entry Information
PDB ID2x91
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameANGIOTENSIN CONVERTING ENZYME
Ligand NameLPR
EC.Number E.C.3.4.15.1
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)Ki=180nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Mol.Biol. Vol. 400: pp. 502-517
Ligand Properties
Formula C21H33N3O5
Molecular Weight 407.504
Exact Mass 407.242
No. of atoms 62
No. of bonds 63
Polar Surface Area 139.16
LOGP Value -1.24      (Computed with XLOGP3)
-0.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 8
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): Q10714  
Entrez Gene IDNCBI Entrez Gene ID: 34805  
ASDInformation of known allosteric effects of PDB entries
 
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