Browse entries in the PDBbind-CN Database

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Related entries of code: 1q95
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1d09RCSB PDB    PDBbind153aa, >1D09_2|Chains... *
2fzcRCSB PDB    PDBbind153aa, >2FZC_2|Chains... at 100%
2fzgRCSB PDB    PDBbind153aa, >2FZG_2|Chains... at 100%
2fzkRCSB PDB    PDBbind153aa, >2FZK_2|Chains... at 100%
2h3eRCSB PDB    PDBbind153aa, >2H3E_2|Chains... at 100%
2ipoRCSB PDB    PDBbind153aa, >2IPO_2|Chains... at 100%
3at1RCSB PDB    PDBbind153aa, >3AT1_2|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1d09RCSB PDB    PDBbindPAL
5g1nRCSB PDB    PDBbindPAL
6jaoRCSB PDB    PDBbindPAL

Entry Information
PDB ID1q95
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameaspartate carbamoyltransferase
Ligand NamePAL
EC.Number E.C.2.1.3.2
Resolution 2.46(Å)
Affinity (Kd/Ki/IC50)Ki=27nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v43 pp. 6415-21, 2004
Ligand Properties
Formula C6H11NO8P
Molecular Weight 256.127
Exact Mass 256.022
No. of atoms 27
No. of bonds 26
Polar Surface Area 177.98
LOGP Value -0.96      (Computed with XLOGP3)
-1.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
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): P0A786  P0A7F3  
Entrez Gene IDNCBI Entrez Gene ID: 61753903  948767  61753902  948763  
ASDInformation of known allosteric effects of PDB entries

 
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