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Related entries of code: 4pre
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4praRCSB PDB    PDBbind11aa, >4PRA_3|Chain... *
4prpRCSB PDB    PDBbind11aa, >4PRP_3|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1avpRCSB PDB    PDBbind11-mer
1bbzRCSB PDB    PDBbind11-mer
1c5fRCSB PDB    PDBbind11-mer
1cwbRCSB PDB    PDBbind11-mer
1cwcRCSB PDB    PDBbind11-mer
1cynRCSB PDB    PDBbind11-mer
1d4tRCSB PDB    PDBbind11-mer
1d4wRCSB PDB    PDBbind11-mer
1d8eRCSB PDB    PDBbind11-mer
1ddmRCSB PDB    PDBbind11-mer
1ff1RCSB PDB    PDBbind11-mer
1h25RCSB PDB    PDBbind11-mer
1h26RCSB PDB    PDBbind11-mer
1h27RCSB PDB    PDBbind11-mer
1h28RCSB PDB    PDBbind11-mer
1h3hRCSB PDB    PDBbind11-mer
1h6eRCSB PDB    PDBbind11-mer
1iq1RCSB PDB    PDBbind11-mer
1irsRCSB PDB    PDBbind11-mer
1jm4RCSB PDB    PDBbind11-mer
1l2zRCSB PDB    PDBbind11-mer
1lcjRCSB PDB    PDBbind11-mer
1mikRCSB PDB    PDBbind11-mer
1om2RCSB PDB    PDBbind11-mer
1ox9RCSB PDB    PDBbind11-mer
1qngRCSB PDB    PDBbind11-mer
1qnhRCSB PDB    PDBbind11-mer
1s9vRCSB PDB    PDBbind11-mer
1spsRCSB PDB    PDBbind11-mer
1thsRCSB PDB    PDBbind11-mer
1uj0RCSB PDB    PDBbind11-mer
1ukhRCSB PDB    PDBbind11-mer
1xn2RCSB PDB    PDBbind11-mer
1zh7RCSB PDB    PDBbind11-mer
1zubRCSB PDB    PDBbind11-mer
2aofRCSB PDB    PDBbind11-mer
2aoiRCSB PDB    PDBbind11-mer
2bj4RCSB PDB    PDBbind11-mer
2bz8RCSB PDB    PDBbind11-mer
2ciaRCSB PDB    PDBbind11-mer
2cv3RCSB PDB    PDBbind11-mer
2eh8RCSB PDB    PDBbind11-mer
2ez5RCSB PDB    PDBbind11-mer
2h2gRCSB PDB    PDBbind11-mer
2h2hRCSB PDB    PDBbind11-mer
2h9mRCSB PDB    PDBbind11-mer
2h9nRCSB PDB    PDBbind11-mer
2h9pRCSB PDB    PDBbind11-mer
2hdxRCSB PDB    PDBbind11-mer
2hmhRCSB PDB    PDBbind11-mer
2jdlRCSB PDB    PDBbind11-mer
2jkrRCSB PDB    PDBbind11-mer
2jktRCSB PDB    PDBbind11-mer
2kplRCSB PDB    PDBbind11-mer
2ks9RCSB PDB    PDBbind11-mer
2ksaRCSB PDB    PDBbind11-mer
2ksbRCSB PDB    PDBbind11-mer
2l3rRCSB PDB    PDBbind11-mer
2m0oRCSB PDB    PDBbind11-mer
2m3mRCSB PDB    PDBbind11-mer
2m3oRCSB PDB    PDBbind11-mer
2o9kRCSB PDB    PDBbind11-mer
2or9RCSB PDB    PDBbind11-mer
2qhrRCSB PDB    PDBbind11-mer
2r02RCSB PDB    PDBbind11-mer
2r05RCSB PDB    PDBbind11-mer
2w9rRCSB PDB    PDBbind11-mer
2wfjRCSB PDB    PDBbind11-mer
2x2cRCSB PDB    PDBbind11-mer
2z6wRCSB PDB    PDBbind11-mer
3aslRCSB PDB    PDBbind11-mer
3ax5RCSB PDB    PDBbind11-mer
3dpoRCSB PDB    PDBbind11-mer
3e8uRCSB PDB    PDBbind11-mer
3eovRCSB PDB    PDBbind11-mer
3eyfRCSB PDB    PDBbind11-mer
3gxzRCSB PDB    PDBbind11-mer
3i90RCSB PDB    PDBbind11-mer
3iiwRCSB PDB    PDBbind11-mer
3iiyRCSB PDB    PDBbind11-mer
3ij0RCSB PDB    PDBbind11-mer
3ij1RCSB PDB    PDBbind11-mer
3lglRCSB PDB    PDBbind11-mer
3ll8RCSB PDB    PDBbind11-mer
3m53RCSB PDB    PDBbind11-mer
3m54RCSB PDB    PDBbind11-mer
3m55RCSB PDB    PDBbind11-mer
3m56RCSB PDB    PDBbind11-mer
3m57RCSB PDB    PDBbind11-mer
3m58RCSB PDB    PDBbind11-mer
3m59RCSB PDB    PDBbind11-mer
3m5aRCSB PDB    PDBbind11-mer
3me9RCSB PDB    PDBbind11-mer
3meaRCSB PDB    PDBbind11-mer
3metRCSB PDB    PDBbind11-mer
3oapRCSB PDB    PDBbind11-mer
3odiRCSB PDB    PDBbind11-mer
3odlRCSB PDB    PDBbind11-mer
3p4fRCSB PDB    PDBbind11-mer
3p9hRCSB PDB    PDBbind11-mer
3pqzRCSB PDB    PDBbind11-mer
3qzvRCSB PDB    PDBbind11-mer
3rbqRCSB PDB    PDBbind11-mer
3rl7RCSB PDB    PDBbind11-mer
3rl8RCSB PDB    PDBbind11-mer
3rwdRCSB PDB    PDBbind11-mer
3tg5RCSB PDB    PDBbind11-mer
3u0tRCSB PDB    PDBbind11-mer
3uvkRCSB PDB    PDBbind11-mer
3uvlRCSB PDB    PDBbind11-mer
3uvnRCSB PDB    PDBbind11-mer
3uvoRCSB PDB    PDBbind11-mer
3uvxRCSB PDB    PDBbind11-mer
3uw9RCSB PDB    PDBbind11-mer
3v2xRCSB PDB    PDBbind11-mer
3va4RCSB PDB    PDBbind11-mer
3zkeRCSB PDB    PDBbind11-mer
3zkfRCSB PDB    PDBbind11-mer
4aa2RCSB PDB    PDBbind11-mer
4b8oRCSB PDB    PDBbind11-mer
4bd3RCSB PDB    PDBbind11-mer
4ds1RCSB PDB    PDBbind11-mer
4e9cRCSB PDB    PDBbind11-mer
4fgyRCSB PDB    PDBbind11-mer
4g69RCSB PDB    PDBbind11-mer
4ht6RCSB PDB    PDBbind11-mer
4htpRCSB PDB    PDBbind11-mer
4hybRCSB PDB    PDBbind11-mer
4j7iRCSB PDB    PDBbind11-mer
4j8gRCSB PDB    PDBbind11-mer
4jjmRCSB PDB    PDBbind11-mer
4ln2RCSB PDB    PDBbind11-mer
4n7gRCSB PDB    PDBbind11-mer
4n7yRCSB PDB    PDBbind11-mer
4o3tRCSB PDB    PDBbind11-mer
4o62RCSB PDB    PDBbind11-mer
4pl6RCSB PDB    PDBbind11-mer
4pliRCSB PDB    PDBbind11-mer
4pr5RCSB PDB    PDBbind11-mer
4praRCSB PDB    PDBbind11-mer
4prbRCSB PDB    PDBbind11-mer
4prdRCSB PDB    PDBbind11-mer
4prhRCSB PDB    PDBbind11-mer
4priRCSB PDB    PDBbind11-mer
4prnRCSB PDB    PDBbind11-mer
4prpRCSB PDB    PDBbind11-mer
4pxfRCSB PDB    PDBbind11-mer
4qc1RCSB PDB    PDBbind11-mer
4qyoRCSB PDB    PDBbind11-mer
4tk1RCSB PDB    PDBbind11-mer
4tk2RCSB PDB    PDBbind11-mer
4tk3RCSB PDB    PDBbind11-mer
4tk4RCSB PDB    PDBbind11-mer
4tmpRCSB PDB    PDBbind11-mer
4u68RCSB PDB    PDBbind11-mer
4u91RCSB PDB    PDBbind11-mer
4w5aRCSB PDB    PDBbind11-mer
4wphRCSB PDB    PDBbind11-mer
4x6sRCSB PDB    PDBbind11-mer
4xc2RCSB PDB    PDBbind11-mer
4yjeRCSB PDB    PDBbind11-mer
4yk6RCSB PDB    PDBbind11-mer
4yv9RCSB PDB    PDBbind11-mer
4yy6RCSB PDB    PDBbind11-mer
4yyiRCSB PDB    PDBbind11-mer
4yymRCSB PDB    PDBbind11-mer
4yynRCSB PDB    PDBbind11-mer
5a0eRCSB PDB    PDBbind11-mer
5aguRCSB PDB    PDBbind11-mer
5agvRCSB PDB    PDBbind11-mer
5ah2RCSB PDB    PDBbind11-mer
5awtRCSB PDB    PDBbind11-mer
5awuRCSB PDB    PDBbind11-mer
5b6cRCSB PDB    PDBbind11-mer
5c6vRCSB PDB    PDBbind11-mer
5c7eRCSB PDB    PDBbind11-mer
5c7fRCSB PDB    PDBbind11-mer
5cszRCSB PDB    PDBbind11-mer
5dahRCSB PDB    PDBbind11-mer
5ewzRCSB PDB    PDBbind11-mer
5ez0RCSB PDB    PDBbind11-mer
5hpmRCSB PDB    PDBbind11-mer
5ickRCSB PDB    PDBbind11-mer
5id0RCSB PDB    PDBbind11-mer
5igqRCSB PDB    PDBbind11-mer
5jinRCSB PDB    PDBbind11-mer
5jiyRCSB PDB    PDBbind11-mer
5jm4RCSB PDB    PDBbind11-mer
5kezRCSB PDB    PDBbind11-mer
5l3fRCSB PDB    PDBbind11-mer
5l3gRCSB PDB    PDBbind11-mer
5lgqRCSB PDB    PDBbind11-mer
5mlwRCSB PDB    PDBbind11-mer
5nneRCSB PDB    PDBbind11-mer
5svxRCSB PDB    PDBbind11-mer
5svyRCSB PDB    PDBbind11-mer
5tdrRCSB PDB    PDBbind11-mer
5tdwRCSB PDB    PDBbind11-mer
5tq1RCSB PDB    PDBbind11-mer
5tqsRCSB PDB    PDBbind11-mer
5vlkRCSB PDB    PDBbind11-mer
5xhzRCSB PDB    PDBbind11-mer
5ygdRCSB PDB    PDBbind11-mer
6au5RCSB PDB    PDBbind11-mer
6axjRCSB PDB    PDBbind11-mer
6axpRCSB PDB    PDBbind11-mer
6aynRCSB PDB    PDBbind11-mer
6azkRCSB PDB    PDBbind11-mer
6azlRCSB PDB    PDBbind11-mer
6ct7RCSB PDB    PDBbind11-mer
6g0qRCSB PDB    PDBbind11-mer
6qzrRCSB PDB    PDBbind11-mer
6qtwRCSB PDB    PDBbind11-mer
6qs1RCSB PDB    PDBbind11-mer
6om2RCSB PDB    PDBbind11-mer
6i5nRCSB PDB    PDBbind11-mer
6i5jRCSB PDB    PDBbind11-mer
6i4xRCSB PDB    PDBbind11-mer
6hksRCSB PDB    PDBbind11-mer
6gy5RCSB PDB    PDBbind11-mer
6g8qRCSB PDB    PDBbind11-mer
6g8pRCSB PDB    PDBbind11-mer
6g8lRCSB PDB    PDBbind11-mer
6g8kRCSB PDB    PDBbind11-mer
6g8jRCSB PDB    PDBbind11-mer
6g8iRCSB PDB    PDBbind11-mer
6g6xRCSB PDB    PDBbind11-mer
Entry Information
PDB ID4pre
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMHC class I antigen HLA-B 35:08
Ligand Name11-mer
EC.Number E.C.-.-.-.-
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=180.5uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Biol.Chem. Vol. 289: pp. 16688-16698
Ligand Properties
Formula C62H81N14O19
Molecular Weight 1326.390
Exact Mass 1325.580
No. of atoms 176
No. of bonds 180
Polar Surface Area 533.98
LOGP Value 0.38      (Computed with XLOGP3)
0.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 46
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 5
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): C5MK56  P61769  P03211  
Entrez Gene IDNCBI Entrez Gene ID: 567  3783709  3783774  
ASDInformation of known allosteric effects of PDB entries
 
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