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Related entries of code: 2xy9
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%
2oc2RCSB PDB    PDBbind591aa, >2OC2_1|Chain... *
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
2xydRCSB PDB    PDBbind3ES
4ca8RCSB PDB    PDBbind3ES
Entry Information
PDB ID2xy9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameANGIOTENSIN-CONVERTING ENZYME
Ligand Name3ES
EC.Number E.C.3.4.15.1
Resolution 1.97(Å)
Affinity (Kd/Ki/IC50)Ki=0.65nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Biochem.J. Vol. 436: pp. 53-59
Ligand Properties
Formula C38H39N3O9P
Molecular Weight 712.705
Exact Mass 712.242
No. of atoms 90
No. of bonds 94
Polar Surface Area 205.04
LOGP Value 5.64      (Computed with XLOGP3)
6.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 12
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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