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Related entries of code: 3kgq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1cbxRCSB PDB    PDBbind307aa, >1CBX:A|PDBID|CHAIN|... at 98%
1cpsRCSB PDB    PDBbind307aa, >1CPS:A|PDBID|CHAIN|... at 98%
1f57RCSB PDB    PDBbind307aa, >1F57:A|PDBID|CHAIN|... at 100%
1hdqRCSB PDB    PDBbind307aa, >1HDQ:A|PDBID|CHAIN|... at 99%
1heeRCSB PDB    PDBbind307aa, >1HEE:E|PDBID|CHAIN|... at 97%
1iy7RCSB PDB    PDBbind307aa, >1IY7:A|PDBID|CHAIN|... at 97%
2ctcRCSB PDB    PDBbind307aa, >2CTC:A|PDBID|CHAIN|... at 99%
2rfhRCSB PDB    PDBbind307aa, >2RFH:A|PDBID|CHAIN|... at 100%
3fvlRCSB PDB    PDBbind307aa, >3FVL:E|PDBID|CHAIN|... at 99%
3fx6RCSB PDB    PDBbind307aa, >3FX6:E|PDBID|CHAIN|... at 99%
8cpaRCSB PDB    PDBbind307aa, >8CPA:A|PDBID|CHAIN|... at 97%
6cpaRCSB PDB    PDBbind307aa, >6CPA:A|PDBID|CHAIN|... at 97%
7cpaRCSB PDB    PDBbind307aa, >7CPA:A|PDBID|CHAIN|... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1i2sRCSB PDB    PDBbindCIT
1o4lRCSB PDB    PDBbindCIT
1rq2RCSB PDB    PDBbindCIT
2c4vRCSB PDB    PDBbindCIT
2fw6RCSB PDB    PDBbindCIT
2fwpRCSB PDB    PDBbindCIT
2qpqRCSB PDB    PDBbindCIT
3itcRCSB PDB    PDBbindCIT
4aciRCSB PDB    PDBbindCIT
4eu3RCSB PDB    PDBbindCIT
4o61RCSB PDB    PDBbindCIT
4oi6RCSB PDB    PDBbindCIT
4rgdRCSB PDB    PDBbindCIT

Entry Information
PDB ID3kgq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarboxypeptidase A1
Ligand NameCIT
EC.Number E.C.3.4.17.1
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=5mM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference(2011) ENZYME RES Vol. 2011: pp. 1-8
Ligand Properties
Formula C6H8O7
Molecular Weight 192.124
Exact Mass 192.027
No. of atoms 21
No. of bonds 20
Polar Surface Area 132.13
LOGP Value 1.76      (Computed with XLOGP3)
-1.25      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
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): P00730  
Entrez Gene IDNCBI Entrez Gene ID: 286762  
ASDInformation of known allosteric effects of PDB entries

 
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