Browse entries in the PDBbind-CN Database

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Related entries of code: 3ldp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3iucRCSB PDB    PDBbind408aa, >3IUC_1|Chains... *
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%
5f2rRCSB PDB    PDBbind400aa, >5F2R_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ldqRCSB PDB    PDBbind3P1

Entry Information
PDB ID3ldp
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name78 kDa glucose-regulated protein, Grp78
Ligand Name3P1
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=2.41uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Med.Chem. Vol. 54: pp. 4034-4041
Ligand Properties
Formula C20H21N7O4
Molecular Weight 423.425
Exact Mass 423.166
No. of atoms 52
No. of bonds 56
Polar Surface Area 164.46
LOGP Value 0.21      (Computed with XLOGP3)
0.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
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): P11021  
Entrez Gene IDNCBI Entrez Gene ID: 3309  
ASDInformation of known allosteric effects of PDB entries

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