Browse entries in the PDBbind-CN Database

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Related entries of code: 3qqs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qs8RCSB PDB    PDBbind377aa, >3QS8_1|Chains... at 100%
3r6cRCSB PDB    PDBbind377aa, >3R6C_1|Chains... at 100%
3r88RCSB PDB    PDBbind377aa, >3R88_1|Chains... at 100%
3twpRCSB PDB    PDBbind377aa, >3TWP_1|Chains... at 100%
3uu1RCSB PDB    PDBbind377aa, >3UU1_1|Chains... at 100%
4giuRCSB PDB    PDBbind378aa, >4GIU_1|Chains... at 99%
4gkmRCSB PDB    PDBbind379aa, >4GKM_1|Chains... at 100%
4ij1RCSB PDB    PDBbind380aa, >4IJ1_1|Chains... *
4m0rRCSB PDB    PDBbind379aa, >4M0R_1|Chains... at 100%
4n8qRCSB PDB    PDBbind378aa, >4N8Q_1|Chains... at 99%
4owmRCSB PDB    PDBbind378aa, >4OWM_1|Chains... at 99%
4ownRCSB PDB    PDBbind378aa, >4OWN_1|Chains... at 99%
4owoRCSB PDB    PDBbind378aa, >4OWO_1|Chains... at 99%
4owvRCSB PDB    PDBbind378aa, >4OWV_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4ij1RCSB PDB    PDBbind17C
Entry Information
PDB ID3qqs
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAnthranilate phosphoribosyltransferase
Ligand Name17C
EC.Number E.C.2.4.2.18
Resolution 1.97(Å)
Affinity (Kd/Ki/IC50)Ki=1.5uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochemistry.Vol.52:1776-1787.
Ligand Properties
Formula C14H11NO4
Molecular Weight 257.241
Exact Mass 257.069
No. of atoms 30
No. of bonds 31
Polar Surface Area 86.63
LOGP Value 5.24      (Computed with XLOGP3)
2.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): P9WFX5  
Entrez Gene IDNCBI Entrez Gene ID: 887681  
ASDInformation of known allosteric effects of PDB entries
 
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