Browse entries in the PDBbind-CN Database

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Related entries of code: 5f2r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3iucRCSB PDB    PDBbind408aa, >3IUC_1|Chains... *
3ldpRCSB PDB    PDBbind384aa, >3LDP_1|Chains... at 99%
5evzRCSB PDB    PDBbind400aa, >5EVZ_1|Chains... at 99%
5exwRCSB PDB    PDBbind400aa, >5EXW_1|Chains... at 99%
5ey4RCSB PDB    PDBbind400aa, >5EY4_1|Chains... at 99%
5f1xRCSB PDB    PDBbind400aa, >5F1X_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1kf0RCSB PDB    PDBbindACP
3a1cRCSB PDB    PDBbindACP
3a1eRCSB PDB    PDBbindACP
4aytRCSB PDB    PDBbindACP
4ayxRCSB PDB    PDBbindACP
4mo4RCSB PDB    PDBbindACP

Entry Information
PDB ID5f2r
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain
Ligand NameACP
EC.Number E.C.-.-.-.-
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)Kd=52uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Plos One Vol. 11: pp. e0154862-e0154862
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): P11021  
Entrez Gene IDNCBI Entrez Gene ID: 3309  
ASDInformation of known allosteric effects of PDB entries

 
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