Browse entries in the PDBbind-CN Database

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Related entries of code: 5tpb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ilpRCSB PDB    PDBbind444aa, >2ILP_1|Chains... at 95%
2imaRCSB PDB    PDBbind444aa, >2IMA_1|Chains... at 95%
2imbRCSB PDB    PDBbind444aa, >2IMB_1|Chains... at 95%
3c88RCSB PDB    PDBbind432aa, >3C88_1|Chain... at 97%
3c89RCSB PDB    PDBbind432aa, >3C89_1|Chain... at 97%
3c8aRCSB PDB    PDBbind432aa, >3C8A_1|Chain... at 97%
3c8bRCSB PDB    PDBbind432aa, >3C8B_1|Chain... at 97%
3ddaRCSB PDB    PDBbind430aa, >3DDA_1|Chain... at 98%
3ddbRCSB PDB    PDBbind430aa, >3DDB_1|Chain... at 98%
3ds9RCSB PDB    PDBbind417aa, >3DS9_1|Chain... at 99%
3nf3RCSB PDB    PDBbind425aa, >3NF3_1|Chain... at 98%
3qiyRCSB PDB    PDBbind430aa, >3QIY_1|Chain... at 97%
3qizRCSB PDB    PDBbind430aa, >3QIZ_1|Chain... at 97%
3qj0RCSB PDB    PDBbind430aa, >3QJ0_1|Chain... at 97%
3qw5RCSB PDB    PDBbind430aa, >3QW5_1|Chain... at 98%
3qw6RCSB PDB    PDBbind430aa, >3QW6_1|Chain... at 98%
3qw7RCSB PDB    PDBbind430aa, >3QW7_1|Chain... at 98%
3qw8RCSB PDB    PDBbind430aa, >3QW8_1|Chain... at 98%
4hevRCSB PDB    PDBbind441aa, >4HEV_1|Chains... at 95%
5tpcRCSB PDB    PDBbind425aa, >5TPC_1|Chain... at 99%
5v8pRCSB PDB    PDBbind444aa, >5V8P_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a1bRCSB PDB    PDBbind3-mer
1a1cRCSB PDB    PDBbind3-mer
1a30RCSB PDB    PDBbind3-mer
1at5RCSB PDB    PDBbind3-mer
1at6RCSB PDB    PDBbind3-mer
1b05RCSB PDB    PDBbind3-mer
1b0hRCSB PDB    PDBbind3-mer
1b1hRCSB PDB    PDBbind3-mer
1b2hRCSB PDB    PDBbind3-mer
1b32RCSB PDB    PDBbind3-mer
1b3fRCSB PDB    PDBbind3-mer
1b3gRCSB PDB    PDBbind3-mer
1b3hRCSB PDB    PDBbind3-mer
1b3lRCSB PDB    PDBbind3-mer
1b40RCSB PDB    PDBbind3-mer
1b46RCSB PDB    PDBbind3-mer
1b4hRCSB PDB    PDBbind3-mer
1b4zRCSB PDB    PDBbind3-mer
1b51RCSB PDB    PDBbind3-mer
1b52RCSB PDB    PDBbind3-mer
1b58RCSB PDB    PDBbind3-mer
1b5hRCSB PDB    PDBbind3-mer
1b5iRCSB PDB    PDBbind3-mer
1b5jRCSB PDB    PDBbind3-mer
1b6hRCSB PDB    PDBbind3-mer
1b7hRCSB PDB    PDBbind3-mer
1b9jRCSB PDB    PDBbind3-mer
1bm6RCSB PDB    PDBbind3-mer
1eubRCSB PDB    PDBbind3-mer
1fwuRCSB PDB    PDBbind3-mer
1fwvRCSB PDB    PDBbind3-mer
1gmyRCSB PDB    PDBbind3-mer
1hkjRCSB PDB    PDBbind3-mer
1hkkRCSB PDB    PDBbind3-mer
1hkmRCSB PDB    PDBbind3-mer
1jetRCSB PDB    PDBbind3-mer
1jeuRCSB PDB    PDBbind3-mer
1jevRCSB PDB    PDBbind3-mer
1jlxRCSB PDB    PDBbind3-mer
1jrsRCSB PDB    PDBbind3-mer
1kjrRCSB PDB    PDBbind3-mer
1kugRCSB PDB    PDBbind3-mer
1kuiRCSB PDB    PDBbind3-mer
1kukRCSB PDB    PDBbind3-mer
1ll4RCSB PDB    PDBbind3-mer
1m7dRCSB PDB    PDBbind3-mer
1mfaRCSB PDB    PDBbind3-mer
1mfdRCSB PDB    PDBbind3-mer
1nu8RCSB PDB    PDBbind3-mer
1oggRCSB PDB    PDBbind3-mer
1qkaRCSB PDB    PDBbind3-mer
1qkbRCSB PDB    PDBbind3-mer
1uleRCSB PDB    PDBbind3-mer
1ur9RCSB PDB    PDBbind3-mer
1ux7RCSB PDB    PDBbind3-mer
1uz8RCSB PDB    PDBbind3-mer
1w3lRCSB PDB    PDBbind3-mer
1y3gRCSB PDB    PDBbind3-mer
2eukRCSB PDB    PDBbind3-mer
2eumRCSB PDB    PDBbind3-mer
2evlRCSB PDB    PDBbind3-mer
2jdhRCSB PDB    PDBbind3-mer
2jdkRCSB PDB    PDBbind3-mer
2liqRCSB PDB    PDBbind3-mer
2olbRCSB PDB    PDBbind3-mer
2r2bRCSB PDB    PDBbind3-mer
2vxjRCSB PDB    PDBbind3-mer
2w68RCSB PDB    PDBbind3-mer
2w7yRCSB PDB    PDBbind3-mer
2wk2RCSB PDB    PDBbind3-mer
2wm0RCSB PDB    PDBbind3-mer
2xdwRCSB PDB    PDBbind3-mer
2xg3RCSB PDB    PDBbind3-mer
2yjqRCSB PDB    PDBbind3-mer
3afkRCSB PDB    PDBbind3-mer
3ap7RCSB PDB    PDBbind3-mer
3ayaRCSB PDB    PDBbind3-mer
3aydRCSB PDB    PDBbind3-mer
3g19RCSB PDB    PDBbind3-mer
3gxyRCSB PDB    PDBbind3-mer
3m3cRCSB PDB    PDBbind3-mer
3m3eRCSB PDB    PDBbind3-mer
3m3oRCSB PDB    PDBbind3-mer
3mbpRCSB PDB    PDBbind3-mer
3rseRCSB PDB    PDBbind3-mer
3tcgRCSB PDB    PDBbind3-mer
4bgyRCSB PDB    PDBbind3-mer
4bh3RCSB PDB    PDBbind3-mer
4bh4RCSB PDB    PDBbind3-mer
4c1uRCSB PDB    PDBbind3-mer
4d2dRCSB PDB    PDBbind3-mer
4dj7RCSB PDB    PDBbind3-mer
4g0aRCSB PDB    PDBbind3-mer
4g68RCSB PDB    PDBbind3-mer
4gzwRCSB PDB    PDBbind3-mer
4hpiRCSB PDB    PDBbind3-mer
4hxjRCSB PDB    PDBbind3-mer
4igqRCSB PDB    PDBbind3-mer
4je8RCSB PDB    PDBbind3-mer
4k64RCSB PDB    PDBbind3-mer
4k67RCSB PDB    PDBbind3-mer
4lblRCSB PDB    PDBbind3-mer
4lboRCSB PDB    PDBbind3-mer
4lkgRCSB PDB    PDBbind3-mer
4lkjRCSB PDB    PDBbind3-mer
4m7jRCSB PDB    PDBbind3-mer
5gluRCSB PDB    PDBbind3-mer
5mxoRCSB PDB    PDBbind3-mer
5t54RCSB PDB    PDBbind3-mer
5ufcRCSB PDB    PDBbind3-mer
5xhsRCSB PDB    PDBbind3-mer
6df1RCSB PDB    PDBbind3-mer
6df2RCSB PDB    PDBbind3-mer
6fhuRCSB PDB    PDBbind3-mer
6m9cRCSB PDB    PDBbind3-mer
6m9dRCSB PDB    PDBbind3-mer
6phxRCSB PDB    PDBbind3-mer
6p7pRCSB PDB    PDBbind3-mer
6k2nRCSB PDB    PDBbind3-mer
6ihtRCSB PDB    PDBbind3-mer
6idzRCSB PDB    PDBbind3-mer
6idbRCSB PDB    PDBbind3-mer
Entry Information
PDB ID5tpb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBotulinum neurotoxin type A
Ligand Name3-mer
EC.Number E.C.-.-.-.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Kd=2.6mM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Am. Chem. Soc. Vol. 139: pp. 218-230
Ligand Properties
Formula C11H19NO8
Molecular Weight 293.270
Exact Mass 293.111
No. of atoms 39
No. of bonds 39
Polar Surface Area 156.55
LOGP Value -1.82      (Computed with XLOGP3)
-2.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): P0DPI0  
Entrez Gene IDNCBI Entrez Gene ID: 56879027  
ASDInformation of known allosteric effects of PDB entries
 
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