Browse entries in the PDBbind-CN Database

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Related entries of code: 3ddb
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%
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%
5tpbRCSB PDB    PDBbind444aa, >5TPB_1|Chains... at 94%
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
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
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
3runRCSB 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 ID3ddb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBotulinum neurotoxin A
Ligand Name7-mer
EC.Number E.C.3.4.24.69
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=95uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Plos Pathog. Vol. 4: pp. e1000165-e1000165
Ligand Properties
Formula C30H64N14O7S
Molecular Weight 764.984
Exact Mass 764.480
No. of atoms 116
No. of bonds 115
Polar Surface Area 421.42
LOGP Value -1.04      (Computed with XLOGP3)
-5.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 0
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): P60880  P0DPI1  
Entrez Gene IDNCBI Entrez Gene ID: 6616  56879027  
ASDInformation of known allosteric effects of PDB entries
 
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