Browse entries in the PDBbind-CN Database

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Related entries of code: 2oc2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1o86RCSB PDB    PDBbind589aa, >1O86_1|Chain... at 100%
1uzeRCSB PDB    PDBbind589aa, >1UZE_1|Chain... at 100%
2xy9RCSB PDB    PDBbind585aa, >2XY9_1|Chain... at 99%
2ydmRCSB PDB    PDBbind589aa, >2YDM_1|Chain... at 99%
3bkkRCSB PDB    PDBbind591aa, >3BKK_1|Chain... at 99%
3bklRCSB PDB    PDBbind591aa, >3BKL_1|Chain... at 99%
3l3nRCSB PDB    PDBbind591aa, >3L3N_1|Chain... at 99%
4aphRCSB PDB    PDBbind589aa, >4APH_1|Chain... at 100%
4bzrRCSB PDB    PDBbind589aa, >4BZR_1|Chain... at 100%
4ca5RCSB PDB    PDBbind589aa, >4CA5_1|Chain... at 100%
6f9tRCSB PDB    PDBbind591aa, >6F9T_1|Chain... at 99%
6f9uRCSB PDB    PDBbind591aa, >6F9U_1|Chain... at 99%
6h5wRCSB PDB    PDBbind591aa, >6H5W_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2x96RCSB PDB    PDBbindRX3

Entry Information
PDB ID2oc2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAngiotensin-converting enzyme, somatic isoform
Ligand NameRX3
EC.Number E.C.3.4.15.1
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)Ki=3nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry 46: 5473-5478
Ligand Properties
Formula C33H37N3O7P
Molecular Weight 618.637
Exact Mass 618.237
No. of atoms 81
No. of bonds 85
Polar Surface Area 174.57
LOGP Value 4.93      (Computed with XLOGP3)
5.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): P12821  
Entrez Gene IDNCBI Entrez Gene ID: 1636  
ASDInformation of known allosteric effects of PDB entries

 
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