Browse entries in the PDBbind-CN Database

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Related entries of code: 1css
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1cshRCSB PDB    PDBbind435aa, >1CSH_1|Chain... at 93%
1csiRCSB PDB    PDBbind435aa, >1CSI_1|Chain... at 93%
1csrRCSB PDB    PDBbind435aa, >1CSR_1|Chain... at 93%
4ctsRCSB PDB    PDBbind437aa, >4CTS_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1css
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecitrate synthase
Ligand NameFCX
EC.Number E.C.4.1.3.7
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=0.8uM
Release Year1995
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v34 pp. 15459-66, 1995
Ligand Properties
Formula C23H40FN7O18P3
Molecular Weight 814.519
Exact Mass 814.163
No. of atoms 92
No. of bonds 94
Polar Surface Area 434.11
LOGP Value -5.18      (Computed with XLOGP3)
-1.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 3
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): P23007  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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