Browse entries in the PDBbind-CN Database

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Related entries of code: 3s9z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3s9iRCSB PDB    PDBbind741aa, >3S9I_1|Chain... *
3sadRCSB PDB    PDBbind741aa, >3SAD_1|Chain... at 100%
3sazRCSB PDB    PDBbind741aa, >3SAZ_1|Chain... at 100%
3sb0RCSB PDB    PDBbind741aa, >3SB0_1|Chain... at 100%
5drcRCSB PDB    PDBbind741aa, >5DRC_1|Chain... at 100%
5driRCSB PDB    PDBbind741aa, >5DRI_1|Chain... at 100%
5ecvRCSB PDB    PDBbind741aa, >5ECV_1|Chain... at 100%
6apzRCSB PDB    PDBbind741aa, >6APZ_1|Chain... at 100%
6as6RCSB PDB    PDBbind741aa, >6AS6_1|Chain... at 100%
6asuRCSB PDB    PDBbind741aa, >6ASU_1|Chain... at 100%
6au9RCSB PDB    PDBbind741aa, >6AU9_1|Chain... at 100%
6axbRCSB PDB    PDBbind741aa, >6AXB_1|Chain... at 100%
6ba7RCSB PDB    PDBbind741aa, >6BA7_1|Chain... at 99%
6bu1RCSB PDB    PDBbind741aa, >6BU1_1|Chain... at 100%
6c2xRCSB PDB    PDBbind741aa, >6C2X_1|Chain... at 100%
6c6oRCSB PDB    PDBbind741aa, >6C6O_1|Chain... at 100%
6c7bRCSB PDB    PDBbind741aa, >6C7B_1|Chain... at 100%
6c8pRCSB PDB    PDBbind741aa, >6C8P_1|Chain... at 100%
6dkoRCSB PDB    PDBbind741aa, >6DKO_1|Chain... at 100%
6dl9RCSB PDB    PDBbind741aa, >6DL9_1|Chain... at 100%
6dljRCSB PDB    PDBbind741aa, >6DLJ_1|Chain... at 99%
6dnpRCSB PDB    PDBbind741aa, >6DNP_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3s9z
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMalate synthase G
Ligand NameI92
EC.Number E.C.2.3.3.9
Resolution 1.79(Å)
Affinity (Kd/Ki/IC50)IC50=0.6uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chem.Biol. Vol. 19: pp. 1556-1567
Ligand Properties
Formula C10H7BrO4
Molecular Weight 271.064
Exact Mass 269.953
No. of atoms 22
No. of bonds 22
Polar Surface Area 74.6
LOGP Value 3.32      (Computed with XLOGP3)
2.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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): P9WK17  
Entrez Gene IDNCBI Entrez Gene ID: 885713  
ASDInformation of known allosteric effects of PDB entries

 
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