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Related entries of code: 4pji
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4iiqRCSB PDB    PDBbind205aa, >4IIQ_1|Chain... *
4l4vRCSB PDB    PDBbind203aa, >4L4V_3|Chains... at 99%
4pj5RCSB PDB    PDBbind203aa, >4PJ5_3|Chains... at 99%
4pj7RCSB PDB    PDBbind203aa, >4PJ7_3|Chains... at 99%
4pj8RCSB PDB    PDBbind203aa, >4PJ8_3|Chain... at 98%
4pj9RCSB PDB    PDBbind203aa, >4PJ9_3|Chain... at 94%
4pjaRCSB PDB    PDBbind205aa, >4PJA_3|Chains... at 97%
4pjbRCSB PDB    PDBbind205aa, >4PJB_3|Chains... at 97%
4pjcRCSB PDB    PDBbind205aa, >4PJC_3|Chains... at 98%
4pjdRCSB PDB    PDBbind205aa, >4PJD_3|Chains... at 98%
4pjeRCSB PDB    PDBbind205aa, >4PJE_3|Chains... at 97%
4pjfRCSB PDB    PDBbind205aa, >4PJF_3|Chains... at 97%
4pjgRCSB PDB    PDBbind205aa, >4PJG_3|Chains... at 97%
4pjhRCSB PDB    PDBbind205aa, >4PJH_3|Chains... at 97%
4pjxRCSB PDB    PDBbind205aa, >4PJX_3|Chains... at 98%
5d5mRCSB PDB    PDBbind204aa, >5D5M_3|Chains... at 98%
5d7iRCSB PDB    PDBbind204aa, >5D7I_3|Chains... at 98%
5d7jRCSB PDB    PDBbind204aa, >5D7J_1|Chains... at 98%
5l2kRCSB PDB    PDBbind204aa, >5L2K_3|Chain... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4pji
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman MAIT C-C10 TCR
Ligand Name30W
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd>200uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Exp.Med. Vol. 211: pp. 1585-1600
Ligand Properties
Formula C9H10N5O2
Molecular Weight 220.208
Exact Mass 220.083
No. of atoms 26
No. of bonds 27
Polar Surface Area 101.88
LOGP Value -0.60      (Computed with XLOGP3)
-0.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): Q95460  P61769  
Entrez Gene IDNCBI Entrez Gene ID: 3140  567  
ASDInformation of known allosteric effects of PDB entries
 
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