Browse entries in the PDBbind-CN Database

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Related entries of code: 3che
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1w9uRCSB PDB    PDBbind433aa, >1W9U_1|Chains... *
1w9vRCSB PDB    PDBbind433aa, >1W9V_1|Chains... at 100%
2a3aRCSB PDB    PDBbind433aa, >2A3A_1|Chains... at 100%
2a3bRCSB PDB    PDBbind433aa, >2A3B_1|Chains... at 100%
2a3cRCSB PDB    PDBbind433aa, >2A3C_1|Chains... at 100%
2iuzRCSB PDB    PDBbind433aa, >2IUZ_1|Chains... at 100%
3ch9RCSB PDB    PDBbind433aa, >3CH9_1|Chains... at 100%
3chcRCSB PDB    PDBbind433aa, >3CHC_1|Chains... at 100%
3chdRCSB PDB    PDBbind433aa, >3CHD_1|Chains... at 100%
3chfRCSB PDB    PDBbind433aa, >3CHF_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a07RCSB PDB    PDBbind4-mer
1a08RCSB PDB    PDBbind4-mer
1a09RCSB PDB    PDBbind4-mer
1a1eRCSB PDB    PDBbind4-mer
1a2cRCSB PDB    PDBbind4-mer
1aq7RCSB PDB    PDBbind4-mer
1e5jRCSB PDB    PDBbind4-mer
1ez9RCSB PDB    PDBbind4-mer
1gvkRCSB PDB    PDBbind4-mer
1ibcRCSB PDB    PDBbind4-mer
1is0RCSB PDB    PDBbind4-mer
1jyqRCSB PDB    PDBbind4-mer
1lkkRCSB PDB    PDBbind4-mer
1lklRCSB PDB    PDBbind4-mer
1m21RCSB PDB    PDBbind4-mer
1n51RCSB PDB    PDBbind4-mer
1popRCSB PDB    PDBbind4-mer
1ppiRCSB PDB    PDBbind4-mer
1s3kRCSB PDB    PDBbind4-mer
1tl9RCSB PDB    PDBbind4-mer
1uktRCSB PDB    PDBbind4-mer
1y3pRCSB PDB    PDBbind4-mer
2i3hRCSB PDB    PDBbind4-mer
2n7bRCSB PDB    PDBbind4-mer
2psxRCSB PDB    PDBbind4-mer
2vslRCSB PDB    PDBbind4-mer
2x6wRCSB PDB    PDBbind4-mer
2x6yRCSB PDB    PDBbind4-mer
2x85RCSB PDB    PDBbind4-mer
2xe4RCSB PDB    PDBbind4-mer
3d3xRCSB PDB    PDBbind4-mer
3jzgRCSB PDB    PDBbind4-mer
3k0kRCSB PDB    PDBbind4-mer
3k16RCSB PDB    PDBbind4-mer
3mp6RCSB PDB    PDBbind4-mer
3niiRCSB PDB    PDBbind4-mer
3nijRCSB PDB    PDBbind4-mer
3nikRCSB PDB    PDBbind4-mer
3nilRCSB PDB    PDBbind4-mer
3nimRCSB PDB    PDBbind4-mer
3ny3RCSB PDB    PDBbind4-mer
3qmkRCSB PDB    PDBbind4-mer
3t1nRCSB PDB    PDBbind4-mer
3t4pRCSB PDB    PDBbind4-mer
3u3zRCSB PDB    PDBbind4-mer
3uecRCSB PDB    PDBbind4-mer
3ut5RCSB PDB    PDBbind4-mer
3uw4RCSB PDB    PDBbind4-mer
3uw5RCSB PDB    PDBbind4-mer
3zybRCSB PDB    PDBbind4-mer
4b9hRCSB PDB    PDBbind4-mer
4c16RCSB PDB    PDBbind4-mer
4c1tRCSB PDB    PDBbind4-mer
4dxgRCSB PDB    PDBbind4-mer
4fgtRCSB PDB    PDBbind4-mer
4fzcRCSB PDB    PDBbind4-mer
4fzgRCSB PDB    PDBbind4-mer
4gk7RCSB PDB    PDBbind4-mer
4hp0RCSB PDB    PDBbind4-mer
4i67RCSB PDB    PDBbind4-mer
4imqRCSB PDB    PDBbind4-mer
4imzRCSB PDB    PDBbind4-mer
4in9RCSB PDB    PDBbind4-mer
4inhRCSB PDB    PDBbind4-mer
4j44RCSB PDB    PDBbind4-mer
4j45RCSB PDB    PDBbind4-mer
4j46RCSB PDB    PDBbind4-mer
4j47RCSB PDB    PDBbind4-mer
4j48RCSB PDB    PDBbind4-mer
4k63RCSB PDB    PDBbind4-mer
4k66RCSB PDB    PDBbind4-mer
4komRCSB PDB    PDBbind4-mer
4kx8RCSB PDB    PDBbind4-mer
4lkdRCSB PDB    PDBbind4-mer
4lkeRCSB PDB    PDBbind4-mer
4lkfRCSB PDB    PDBbind4-mer
4mbpRCSB PDB    PDBbind4-mer
4q4iRCSB PDB    PDBbind4-mer
4trwRCSB PDB    PDBbind4-mer
4trzRCSB PDB    PDBbind4-mer
4x0zRCSB PDB    PDBbind4-mer
4x14RCSB PDB    PDBbind4-mer
4z7nRCSB PDB    PDBbind4-mer
4z7oRCSB PDB    PDBbind4-mer
5ab1RCSB PDB    PDBbind4-mer
5ajcRCSB PDB    PDBbind4-mer
5azfRCSB PDB    PDBbind4-mer
5btvRCSB PDB    PDBbind4-mer
5e6oRCSB PDB    PDBbind4-mer
5efjRCSB PDB    PDBbind4-mer
5f2uRCSB PDB    PDBbind4-mer
5f90RCSB PDB    PDBbind4-mer
5izjRCSB PDB    PDBbind4-mer
5jopRCSB PDB    PDBbind4-mer
5jy0RCSB PDB    PDBbind4-mer
5tdbRCSB PDB    PDBbind4-mer
5vi6RCSB PDB    PDBbind4-mer
5wxpRCSB PDB    PDBbind4-mer
5yzdRCSB PDB    PDBbind4-mer
5zmqRCSB PDB    PDBbind4-mer
5zmsRCSB PDB    PDBbind4-mer
6cctRCSB PDB    PDBbind4-mer
6ccuRCSB PDB    PDBbind4-mer
6cd8RCSB PDB    PDBbind4-mer
6cd9RCSB PDB    PDBbind4-mer
6cdcRCSB PDB    PDBbind4-mer
6m8wRCSB PDB    PDBbind4-mer
6m8yRCSB PDB    PDBbind4-mer
6m9fRCSB PDB    PDBbind4-mer
6msyRCSB PDB    PDBbind4-mer
6mu3RCSB PDB    PDBbind4-mer
6pu3RCSB PDB    PDBbind4-mer
6prgRCSB PDB    PDBbind4-mer
6n3fRCSB PDB    PDBbind4-mer
6jjnRCSB PDB    PDBbind4-mer
6jjmRCSB PDB    PDBbind4-mer
6hopRCSB PDB    PDBbind4-mer

Entry Information
PDB ID3che
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAfChiB1
Ligand Name4-mer
EC.Number E.C.-.-.-.-
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)IC50=5.1uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Chem.Biol. Vol. 15: pp. 295-301
Ligand Properties
Formula C24H36N7O8
Molecular Weight 550.585
Exact Mass 550.263
No. of atoms 75
No. of bonds 75
Polar Surface Area 234.23
LOGP Value 2.06      (Computed with XLOGP3)
-1.03      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 15
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): Q873X9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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