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Related entries of code: 4tmr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4oytRCSB PDB    PDBbind442aa, >4OYT_1|Chains... *
4tn4RCSB PDB    PDBbind442aa, >4TN4_1|Chains... at 100%
5gvkRCSB PDB    PDBbind442aa, >5GVK_1|Chains... at 100%
5gvlRCSB PDB    PDBbind442aa, >5GVL_1|Chains... at 100%
5gvmRCSB PDB    PDBbind442aa, >5GVM_1|Chains... at 100%
5gvnRCSB PDB    PDBbind442aa, >5GVN_1|Chains... at 100%
5gvpRCSB PDB    PDBbind442aa, >5GVP_1|Chains... at 100%
5xmpRCSB PDB    PDBbind442aa, >5XMP_1|Chains... at 99%
5xmrRCSB PDB    PDBbind442aa, >5XMR_1|Chains... at 99%
5xmsRCSB PDB    PDBbind442aa, >5XMS_1|Chains... at 100%
5xmtRCSB PDB    PDBbind442aa, >5XMT_1|Chains... at 100%
5xmuRCSB PDB    PDBbind442aa, >5XMU_1|Chains... at 100%
5xmvRCSB PDB    PDBbind442aa, >5XMV_1|Chains... at 100%
5yfzRCSB PDB    PDBbind442aa, >5YFZ_1|Chains... at 100%
5yg2RCSB PDB    PDBbind442aa, >5YG2_1|Chains... at 100%
5yg3RCSB PDB    PDBbind442aa, >5YG3_1|Chains... at 100%
5yg4RCSB PDB    PDBbind442aa, >5YG4_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4tmr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlasmodium vivax Serine hydroxymethyltransferase, PvSHMT
Ligand Name99S
EC.Number E.C.-.-.-.-
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=60nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 3117-3130
Ligand Properties
Formula C24H21N5O3S
Molecular Weight 459.520
Exact Mass 459.137
No. of atoms 54
No. of bonds 57
Polar Surface Area 166.05
LOGP Value 4.91      (Computed with XLOGP3)
4.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): A5K8L9  
Entrez Gene IDNCBI Entrez Gene ID: 5473173  
ASDInformation of known allosteric effects of PDB entries

 
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