Browse entries in the PDBbind-CN Database

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Related entries of code: 3moe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1m51RCSB PDB    PDBbind625aa, >1M51_1|Chain... *
1nhxRCSB PDB    PDBbind625aa, >1NHX_1|Chain... at 100%
2gmvRCSB PDB    PDBbind625aa, >2GMV_1|Chains... at 100%
2rk7RCSB PDB    PDBbind624aa, >2RK7_1|Chains... at 90%
2rk8RCSB PDB    PDBbind624aa, >2RK8_1|Chains... at 90%
2rkaRCSB PDB    PDBbind624aa, >2RKA_1|Chains... at 90%
2rkdRCSB PDB    PDBbind624aa, >2RKD_1|Chain... at 90%
2rkeRCSB PDB    PDBbind624aa, >2RKE_1|Chain... at 90%
3mofRCSB PDB    PDBbind624aa, >3MOF_1|Chains... at 90%
3mohRCSB PDB    PDBbind624aa, >3MOH_1|Chains... at 90%
6p5oRCSB PDB    PDBbind622aa, >6P5O_1|Chain... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1m1bRCSB PDB    PDBbindSPV

Entry Information
PDB ID3moe
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namephosphoenolpyruvate carboxykinase (PEPCK),mutation A467G
Ligand NameSPV
EC.Number E.C.4.1.1.32
Resolution 1.25(Å)
Affinity (Kd/Ki/IC50)Ki=50uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochemistry Vol. 49: pp. 5176-5187
Ligand Properties
Formula C3H6O6S
Molecular Weight 170.141
Exact Mass 169.989
No. of atoms 16
No. of bonds 15
Polar Surface Area 140.36
LOGP Value -0.45      (Computed with XLOGP3)
-0.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
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): P07379  
Entrez Gene IDNCBI Entrez Gene ID: 362282  
ASDInformation of known allosteric effects of PDB entries

 
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