Browse entries in the PDBbind-CN Database

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Related entries of code: 3a1c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3a1dRCSB PDB    PDBbind287aa, >3A1D_1|Chains... at 100%
3a1eRCSB PDB    PDBbind287aa, >3A1E_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1kf0RCSB PDB    PDBbindACP
3a1eRCSB PDB    PDBbindACP
4aytRCSB PDB    PDBbindACP
4ayxRCSB PDB    PDBbindACP
4mo4RCSB PDB    PDBbindACP
5f2rRCSB PDB    PDBbindACP

Entry Information
PDB ID3a1c
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameProbable copper-exporting P-type ATPase A
Ligand NameACP
EC.Number E.C.3.6.3.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=0.1mM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Embo J. Vol. 28: pp. 1782-1791
Ligand Properties
Formula C11H21N5O12P3
Molecular Weight 508.232
Exact Mass 508.040
No. of atoms 52
No. of bonds 54
Polar Surface Area 320.15
LOGP Value -6.21      (Computed with XLOGP3)
-2.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 17
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): O29777  
Entrez Gene IDNCBI Entrez Gene ID: 24794013  
ASDInformation of known allosteric effects of PDB entries

 
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