Browse entries in the PDBbind-CN Database

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Related entries of code: 2cll
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a50RCSB PDB    PDBbind268aa, >1A50_1|Chain... *
1c29RCSB PDB    PDBbind268aa, >1C29_1|Chain... at 100%
1c8vRCSB PDB    PDBbind268aa, >1C8V_1|Chain... at 100%
1c9dRCSB PDB    PDBbind268aa, >1C9D_1|Chain... at 100%
1cw2RCSB PDB    PDBbind268aa, >1CW2_1|Chain... at 100%
1cx9RCSB PDB    PDBbind268aa, >1CX9_1|Chain... at 100%
1tjpRCSB PDB    PDBbind268aa, >1TJP_1|Chain... at 100%
2cleRCSB PDB    PDBbind268aa, >2CLE_1|Chain... at 100%
2clfRCSB PDB    PDBbind268aa, >2CLF_1|Chain... at 100%
2clhRCSB PDB    PDBbind268aa, >2CLH_1|Chain... at 100%
2cliRCSB PDB    PDBbind268aa, >2CLI_1|Chain... at 100%
2clkRCSB PDB    PDBbind268aa, >2CLK_1|Chain... at 99%
2clmRCSB PDB    PDBbind268aa, >2CLM_1|Chain... at 100%
2cloRCSB PDB    PDBbind268aa, >2CLO_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2cliRCSB PDB    PDBbindF9F

Entry Information
PDB ID2cll
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTRYPTOPHAN SYNTHASE
Ligand NameF9F
EC.Number E.C.4.2.1.20
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=50uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry 46: 7713
Ligand Properties
Formula C9H12F3NO7PS
Molecular Weight 366.228
Exact Mass 366.002
No. of atoms 34
No. of bonds 34
Polar Surface Area 147.29
LOGP Value 0.13      (Computed with XLOGP3)
2.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
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): P00929  P0A2K1  
Entrez Gene IDNCBI Entrez Gene ID: 1253246  1253245  
ASDInformation of known allosteric effects of PDB entries

 
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