Browse entries in the PDBbind-CN Database

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Related entries of code: 3run
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
184lRCSB PDB    PDBbind164aa, >184L_1|Chain... at 96%
185lRCSB PDB    PDBbind164aa, >185L_1|Chain... at 96%
186lRCSB PDB    PDBbind164aa, >186L_1|Chain... at 96%
187lRCSB PDB    PDBbind164aa, >187L_1|Chain... at 96%
188lRCSB PDB    PDBbind164aa, >188L_1|Chain... at 96%
1l83RCSB PDB    PDBbind164aa, >1L83_1|Chain... at 96%
1lgwRCSB PDB    PDBbind164aa, >1LGW_1|Chain... at 95%
1li2RCSB PDB    PDBbind164aa, >1LI2_1|Chain... at 95%
1li3RCSB PDB    PDBbind164aa, >1LI3_1|Chain... at 95%
1li6RCSB PDB    PDBbind164aa, >1LI6_1|Chain... at 95%
220lRCSB PDB    PDBbind164aa, >220L_1|Chain... at 96%
223lRCSB PDB    PDBbind164aa, >223L_1|Chain... at 95%
4w52RCSB PDB    PDBbind172aa, >4W52_1|Chain... at 94%
4w53RCSB PDB    PDBbind172aa, >4W53_1|Chain... at 94%
4w54RCSB PDB    PDBbind172aa, >4W54_1|Chain... at 94%
4w55RCSB PDB    PDBbind172aa, >4W55_1|Chain... at 94%
4w57RCSB PDB    PDBbind172aa, >4W57_1|Chain... at 94%
6ajjRCSB PDB    PDBbind943aa, >6AJJ_1|Chain... at 100%
6ajiRCSB PDB    PDBbind943aa, >6AJI_1|Chain... at 100%
6ajhRCSB PDB    PDBbind943aa, >6AJH_1|Chain... at 100%
6ajgRCSB PDB    PDBbind943aa, >6AJG_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1bm2RCSB PDB    PDBbind7-mer
1bzhRCSB PDB    PDBbind7-mer
1ekbRCSB PDB    PDBbind7-mer
1evhRCSB PDB    PDBbind7-mer
1f8aRCSB PDB    PDBbind7-mer
1fhrRCSB PDB    PDBbind7-mer
1fknRCSB PDB    PDBbind7-mer
1j4kRCSB PDB    PDBbind7-mer
1jojRCSB PDB    PDBbind7-mer
1m4hRCSB PDB    PDBbind7-mer
1n7tRCSB PDB    PDBbind7-mer
1nltRCSB PDB    PDBbind7-mer
1oh4RCSB PDB    PDBbind7-mer
1okwRCSB PDB    PDBbind7-mer
1pipRCSB PDB    PDBbind7-mer
1py1RCSB PDB    PDBbind7-mer
1q5lRCSB PDB    PDBbind7-mer
1qscRCSB PDB    PDBbind7-mer
1rzxRCSB PDB    PDBbind7-mer
1slgRCSB PDB    PDBbind7-mer
1stsRCSB PDB    PDBbind7-mer
1tzeRCSB PDB    PDBbind7-mer
1umwRCSB PDB    PDBbind7-mer
1vwnRCSB PDB    PDBbind7-mer
2er6RCSB PDB    PDBbind7-mer
2joaRCSB PDB    PDBbind7-mer
2l7uRCSB PDB    PDBbind7-mer
2mipRCSB PDB    PDBbind7-mer
2nmbRCSB PDB    PDBbind7-mer
2pemRCSB PDB    PDBbind7-mer
2pv1RCSB PDB    PDBbind7-mer
2q3zRCSB PDB    PDBbind7-mer
2w6uRCSB PDB    PDBbind7-mer
2w78RCSB PDB    PDBbind7-mer
2xqqRCSB PDB    PDBbind7-mer
2zlfRCSB PDB    PDBbind7-mer
3ddaRCSB PDB    PDBbind7-mer
3ddbRCSB PDB    PDBbind7-mer
3fvhRCSB PDB    PDBbind7-mer
3iflRCSB PDB    PDBbind7-mer
3ifoRCSB PDB    PDBbind7-mer
3ifpRCSB PDB    PDBbind7-mer
3l81RCSB PDB    PDBbind7-mer
3nziRCSB PDB    PDBbind7-mer
3oleRCSB PDB    PDBbind7-mer
3olgRCSB PDB    PDBbind7-mer
3oliRCSB PDB    PDBbind7-mer
3rq7RCSB PDB    PDBbind7-mer
3rulRCSB PDB    PDBbind7-mer
3rumRCSB PDB    PDBbind7-mer
3stjRCSB PDB    PDBbind7-mer
3t6rRCSB PDB    PDBbind7-mer
3upvRCSB PDB    PDBbind7-mer
3uqrRCSB PDB    PDBbind7-mer
3vb6RCSB PDB    PDBbind7-mer
3vfjRCSB PDB    PDBbind7-mer
3wdcRCSB PDB    PDBbind7-mer
3wddRCSB PDB    PDBbind7-mer
3wdeRCSB PDB    PDBbind7-mer
4aifRCSB PDB    PDBbind7-mer
4dfwRCSB PDB    PDBbind7-mer
4dvfRCSB PDB    PDBbind7-mer
4eqfRCSB PDB    PDBbind7-mer
4ezwRCSB PDB    PDBbind7-mer
4ezxRCSB PDB    PDBbind7-mer
4ezyRCSB PDB    PDBbind7-mer
4ezzRCSB PDB    PDBbind7-mer
4fbxRCSB PDB    PDBbind7-mer
4fgxRCSB PDB    PDBbind7-mer
4gneRCSB PDB    PDBbind7-mer
4gplRCSB PDB    PDBbind7-mer
4igkRCSB PDB    PDBbind7-mer
4j73RCSB PDB    PDBbind7-mer
4lp9RCSB PDB    PDBbind7-mer
4mn3RCSB PDB    PDBbind7-mer
4o6wRCSB PDB    PDBbind7-mer
4onfRCSB PDB    PDBbind7-mer
4tkyRCSB PDB    PDBbind7-mer
4u0gRCSB PDB    PDBbind7-mer
6isoRCSB PDB    PDBbind7-mer
4x3iRCSB PDB    PDBbind7-mer
4x3kRCSB PDB    PDBbind7-mer
4y32RCSB PDB    PDBbind7-mer
4y3bRCSB PDB    PDBbind7-mer
5cs2RCSB PDB    PDBbind7-mer
5hjdRCSB PDB    PDBbind7-mer
5j5xRCSB PDB    PDBbind7-mer
5lynRCSB PDB    PDBbind7-mer
5m63RCSB PDB    PDBbind7-mer
5n7gRCSB PDB    PDBbind7-mer
5ovcRCSB PDB    PDBbind7-mer
5ovpRCSB PDB    PDBbind7-mer
5ovvRCSB PDB    PDBbind7-mer
5oydRCSB PDB    PDBbind7-mer
5w38RCSB PDB    PDBbind7-mer
5wxgRCSB PDB    PDBbind7-mer
5wxhRCSB PDB    PDBbind7-mer
5xo2RCSB PDB    PDBbind7-mer
5xofRCSB PDB    PDBbind7-mer
5y20RCSB PDB    PDBbind7-mer
5yyfRCSB PDB    PDBbind7-mer
6b67RCSB PDB    PDBbind7-mer
6cenRCSB PDB    PDBbind7-mer
6do3RCSB PDB    PDBbind7-mer
6exjRCSB PDB    PDBbind7-mer
6mnfRCSB PDB    PDBbind7-mer
7kmeRCSB PDB    PDBbind7-mer
8hvpRCSB PDB    PDBbind7-mer
6pkaRCSB PDB    PDBbind7-mer
6p3wRCSB PDB    PDBbind7-mer
6oxlRCSB PDB    PDBbind7-mer
6om4RCSB PDB    PDBbind7-mer
6n3eRCSB PDB    PDBbind7-mer
6mqmRCSB PDB    PDBbind7-mer
6hldRCSB PDB    PDBbind7-mer
6gf3RCSB PDB    PDBbind7-mer
6frjRCSB PDB    PDBbind7-mer
6cn8RCSB PDB    PDBbind7-mer
5n7bRCSB PDB    PDBbind7-mer
6dn5RCSB PDB    PDBbind7-mer
Entry Information
PDB ID3run
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLYSOZYME(C54T, C97A, L164A mutation)
Ligand Name7-mer
EC.Number E.C.3.2.1.17
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=3.6uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Am.Chem.Soc. Vol. 134: pp. 4637-4645
Ligand Properties
Formula C53H53Cl2N8O17
Molecular Weight 1144.940
Exact Mass 1143.290
No. of atoms 133
No. of bonds 140
Polar Surface Area 411.44
LOGP Value 0.27      (Computed with XLOGP3)
4.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 8
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): P00720  
Entrez Gene IDNCBI Entrez Gene ID: 1258585  
ASDInformation of known allosteric effects of PDB entries
 
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