Browse entries in the PDBbind-CN Database

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Related entries of code: 3vp1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3uo9RCSB PDB    PDBbind534aa, >3UO9_1|Chains... at 98%
3vozRCSB PDB    PDBbind315aa, >3VOZ_1|Chain... at 99%
3vp2RCSB PDB    PDBbind315aa, >3VP2_1|Chain... at 99%
3vp3RCSB PDB    PDBbind315aa, >3VP3_1|Chain... at 99%
3vp4RCSB PDB    PDBbind316aa, >3VP4_1|Chain... at 99%
4jktRCSB PDB    PDBbind479aa, >4JKT_1|Chains... at 97%
4o7dRCSB PDB    PDBbind313aa, >4O7D_1|Chain... at 99%
5fi2RCSB PDB    PDBbind539aa, >5FI2_1|Chains... *
5fi6RCSB PDB    PDBbind539aa, >5FI6_1|Chains... at 100%
5fi7RCSB PDB    PDBbind539aa, >5FI7_1|Chains... at 100%
5i94RCSB PDB    PDBbind539aa, >5I94_1|Chains... at 99%
5jyoRCSB PDB    PDBbind333aa, >5JYO_1|Chains... at 94%
5jypRCSB PDB    PDBbind333aa, >5JYP_1|Chain... at 94%
5wj6RCSB PDB    PDBbind539aa, >5WJ6_2|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3uo9RCSB PDB    PDBbind04A
3vozRCSB PDB    PDBbind04A
4jktRCSB PDB    PDBbind04A
Entry Information
PDB ID3vp1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman glutaminase
Ligand Name04A
EC.Number E.C.3.5.1.2
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=3.3uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J. Med. Chem., Vol.55, pp.10551-10563
Ligand Properties
Formula C12H11N3OS2
Molecular Weight 277.365
Exact Mass 277.034
No. of atoms 29
No. of bonds 30
Polar Surface Area 115.21
LOGP Value 1.51      (Computed with XLOGP3)
2.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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): O94925  
Entrez Gene IDNCBI Entrez Gene ID: 2744  
ASDInformation of known allosteric effects of PDB entries
 
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