Browse entries in the PDBbind-CN Database

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Related entries of code: 3nxq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2c6nRCSB PDB    PDBbind612aa, >2C6N_1|Chains... at 98%
2xydRCSB PDB    PDBbind610aa, >2XYD_1|Chains... at 99%
4bxkRCSB PDB    PDBbind629aa, >4BXK_1|Chains... at 100%
4bzsRCSB PDB    PDBbind629aa, >4BZS_1|Chains... at 98%
4ca6RCSB PDB    PDBbind610aa, >4CA6_1|Chains... at 99%
6en5RCSB PDB    PDBbind629aa, >6EN5_1|Chains... at 100%
6en6RCSB PDB    PDBbind629aa, >6EN6_1|Chains... at 100%
6f9rRCSB PDB    PDBbind629aa, >6F9R_1|Chains... at 99%
6f9vRCSB PDB    PDBbind629aa, >6F9V_1|Chains... at 99%
6h5xRCSB PDB    PDBbind629aa, >6H5X_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2x97RCSB PDB    PDBbindRX4
Entry Information
PDB ID3nxq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAngiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389)
Ligand NameRX4
EC.Number E.C.3.4.15.1
Resolution 1.99(Å)
Affinity (Kd/Ki/IC50)Ki=7nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J. Med. Chem., Vol.54, pp.5955-5980
Ligand Properties
Formula C21H32N4O8P
Molecular Weight 499.475
Exact Mass 499.196
No. of atoms 66
No. of bonds 66
Polar Surface Area 221.74
LOGP Value -0.27      (Computed with XLOGP3)
0.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 1
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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