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Related entries of code: 3mle
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qxcRCSB PDB    PDBbind242aa, >3QXC_1|Chain... at 100%
3qxhRCSB PDB    PDBbind242aa, >3QXH_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1amwRCSB PDB    PDBbindADP
1ao0RCSB PDB    PDBbindADP
1atrRCSB PDB    PDBbindADP
1e8hRCSB PDB    PDBbindADP
1hi5RCSB PDB    PDBbindADP
1lkxRCSB PDB    PDBbindADP
1m74RCSB PDB    PDBbindADP
1o0hRCSB PDB    PDBbindADP
1t3tRCSB PDB    PDBbindADP
1ucnRCSB PDB    PDBbindADP
1xxiRCSB PDB    PDBbindADP
1y8oRCSB PDB    PDBbindADP
2bfrRCSB PDB    PDBbindADP
2c02RCSB PDB    PDBbindADP
2e2pRCSB PDB    PDBbindADP
2hmvRCSB PDB    PDBbindADP
2ja3RCSB PDB    PDBbindADP
2o1vRCSB PDB    PDBbindADP
2qv7RCSB PDB    PDBbindADP
2r6fRCSB PDB    PDBbindADP
2rioRCSB PDB    PDBbindADP
2vhjRCSB PDB    PDBbindADP
2y8iRCSB PDB    PDBbindADP
2y8lRCSB PDB    PDBbindADP
2y8qRCSB PDB    PDBbindADP
2z4rRCSB PDB    PDBbindADP
2zkjRCSB PDB    PDBbindADP
3a1dRCSB PDB    PDBbindADP
3atuRCSB PDB    PDBbindADP
3atvRCSB PDB    PDBbindADP
3ay9RCSB PDB    PDBbindADP
3bf1RCSB PDB    PDBbindADP
3bxzRCSB PDB    PDBbindADP
3c7nRCSB PDB    PDBbindADP
3cf1RCSB PDB    PDBbindADP
3d2rRCSB PDB    PDBbindADP
3dgnRCSB PDB    PDBbindADP
3i73RCSB PDB    PDBbindADP
3iucRCSB PDB    PDBbindADP
3k1jRCSB PDB    PDBbindADP
3llmRCSB PDB    PDBbindADP
3ncrRCSB PDB    PDBbindADP
3p23RCSB PDB    PDBbindADP
3qc9RCSB PDB    PDBbindADP
3qxhRCSB PDB    PDBbindADP
3rupRCSB PDB    PDBbindADP
3rv3RCSB PDB    PDBbindADP
3rv4RCSB PDB    PDBbindADP
3t4nRCSB PDB    PDBbindADP
3ta1RCSB PDB    PDBbindADP
3tifRCSB PDB    PDBbindADP
3vx3RCSB PDB    PDBbindADP
4c3kRCSB PDB    PDBbindADP
4i3zRCSB PDB    PDBbindADP
4kodRCSB PDB    PDBbindADP
4lj5RCSB PDB    PDBbindADP
4lj8RCSB PDB    PDBbindADP
4nxuRCSB PDB    PDBbindADP
4oagRCSB PDB    PDBbindADP
4ocpRCSB PDB    PDBbindADP
4ozjRCSB PDB    PDBbindADP
4u0sRCSB PDB    PDBbindADP
4u0uRCSB PDB    PDBbindADP
4uohRCSB PDB    PDBbindADP
4zkiRCSB PDB    PDBbindADP
5evzRCSB PDB    PDBbindADP
5fsxRCSB PDB    PDBbindADP
6czdRCSB PDB    PDBbindADP
6f3fRCSB PDB    PDBbindADP
6fa5RCSB PDB    PDBbindADP
6faaRCSB PDB    PDBbindADP
6facRCSB PDB    PDBbindADP
6fhkRCSB PDB    PDBbindADP
6n9lRCSB PDB    PDBbindADP
6mmcRCSB PDB    PDBbindADP
6hysRCSB PDB    PDBbindADP
6cjjRCSB PDB    PDBbindADP
6bs3RCSB PDB    PDBbindADP
5kk8RCSB PDB    PDBbindADP
Entry Information
PDB ID3mle
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDethiobiotin synthetase
Ligand NameADP
EC.Number E.C.6.3.3.3
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=5.8uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Febs J.Vol. 279: pp. 1093-1105.
Ligand Properties
Formula C10H17N5O10P2
Molecular Weight 429.217
Exact Mass 429.045
No. of atoms 44
No. of bonds 46
Polar Surface Area 266.1
LOGP Value -4.89      (Computed with XLOGP3)
-2.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
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): O24872  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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