Browse entries in the PDBbind-CN Database

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Related entries of code: 6abx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2bo4RCSB PDB    PDBbindFLC
2yg2RCSB PDB    PDBbindFLC
3ry8RCSB PDB    PDBbindFLC
4nrmRCSB PDB    PDBbindFLC
4to8RCSB PDB    PDBbindFLC
Entry Information
PDB ID6abx
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCitrate synthase
Ligand NameFLC
EC.Number E.C.2.3.3.16
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=7.19mM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) PLoS ONE Vol. 14: pp. e0212807-e0212807
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 likeness No. 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): A4YGX6  
Entrez Gene IDNCBI Entrez Gene ID: 5104050  59457368  
ASDInformation of known allosteric effects of PDB entries
 
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