Browse entries in the PDBbind-CN Database

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Related entries of code: 5a3r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2agvRCSB PDB    PDBbind994aa, >2AGV_1|Chains... at 100%
2o9jRCSB PDB    PDBbind994aa, >2O9J_1|Chain... at 100%
2oa0RCSB PDB    PDBbind994aa, >2OA0_1|Chain... at 100%
3n5kRCSB PDB    PDBbind994aa, >3N5K_1|Chains... at 100%
3nalRCSB PDB    PDBbind994aa, >3NAL_1|Chain... at 100%
3namRCSB PDB    PDBbind994aa, >3NAM_1|Chain... at 100%
3nanRCSB PDB    PDBbind994aa, >3NAN_1|Chain... at 100%
4j2tRCSB PDB    PDBbind994aa, >4J2T_1|Chain... at 100%
4yclRCSB PDB    PDBbind995aa, >4YCL_1|Chain... *
4ycmRCSB PDB    PDBbind994aa, >4YCM_1|Chain... at 99%
4ycnRCSB PDB    PDBbind994aa, >4YCN_1|Chain... at 99%
5a3qRCSB PDB    PDBbind995aa, >5A3Q_1|Chain... at 100%
5a3sRCSB PDB    PDBbind995aa, >5A3S_1|Chains... at 100%
5ncqRCSB PDB    PDBbind994aa, >5NCQ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5a3qRCSB PDB    PDBbindDL5
Entry Information
PDB ID5a3r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE2 BeF3- Form of the Calcium ATPase
Ligand NameDL5
EC.Number E.C.3.6.3.8
Resolution 3.05(Å)
Affinity (Kd/Ki/IC50)Kd=16.7nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Structure Vol. 24: pp. 617-623
Ligand Properties
Formula C17H22N8O18P3
Molecular Weight 719.321
Exact Mass 719.026
No. of atoms 68
No. of bonds 72
Polar Surface Area 435.61
LOGP Value -5.29      (Computed with XLOGP3)
0.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 26
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): P04191  
Entrez Gene IDNCBI Entrez Gene ID: 100037716  
ASDInformation of known allosteric effects of PDB entries
 
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