Browse entries in the PDBbind-CN Database

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Related entries of code: 3nf3
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%
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
1fo0RCSB PDB    PDBbind8-mer
1fzjRCSB PDB    PDBbind8-mer
1fzmRCSB PDB    PDBbind8-mer
1g6rRCSB PDB    PDBbind8-mer
1g7qRCSB PDB    PDBbind8-mer
1legRCSB PDB    PDBbind8-mer
1lekRCSB PDB    PDBbind8-mer
1nlpRCSB PDB    PDBbind8-mer
1nzlRCSB PDB    PDBbind8-mer
1nzvRCSB PDB    PDBbind8-mer
1obxRCSB PDB    PDBbind8-mer
1okxRCSB PDB    PDBbind8-mer
1p2gRCSB PDB    PDBbind8-mer
1pigRCSB PDB    PDBbind8-mer
1pz5RCSB PDB    PDBbind8-mer
1qjaRCSB PDB    PDBbind8-mer
1qjbRCSB PDB    PDBbind8-mer
1qr3RCSB PDB    PDBbind8-mer
1sleRCSB PDB    PDBbind8-mer
1tpsRCSB PDB    PDBbind8-mer
2c1nRCSB PDB    PDBbind8-mer
2clvRCSB PDB    PDBbind8-mer
2er0RCSB PDB    PDBbind8-mer
2er9RCSB PDB    PDBbind8-mer
2fo4RCSB PDB    PDBbind8-mer
2h6kRCSB PDB    PDBbind8-mer
2kbsRCSB PDB    PDBbind8-mer
2qbwRCSB PDB    PDBbind8-mer
2r03RCSB PDB    PDBbind8-mer
2r9bRCSB PDB    PDBbind8-mer
2rlyRCSB PDB    PDBbind8-mer
2rt5RCSB PDB    PDBbind8-mer
2v88RCSB PDB    PDBbind8-mer
2w16RCSB PDB    PDBbind8-mer
2w3oRCSB PDB    PDBbind8-mer
2ynnRCSB PDB    PDBbind8-mer
2zpkRCSB PDB    PDBbind8-mer
3agmRCSB PDB    PDBbind8-mer
3av9RCSB PDB    PDBbind8-mer
3avaRCSB PDB    PDBbind8-mer
3avbRCSB PDB    PDBbind8-mer
3avfRCSB PDB    PDBbind8-mer
3avgRCSB PDB    PDBbind8-mer
3avhRCSB PDB    PDBbind8-mer
3aviRCSB PDB    PDBbind8-mer
3avjRCSB PDB    PDBbind8-mer
3avkRCSB PDB    PDBbind8-mer
3avlRCSB PDB    PDBbind8-mer
3avmRCSB PDB    PDBbind8-mer
3avnRCSB PDB    PDBbind8-mer
3drfRCSB PDB    PDBbind8-mer
3ds9RCSB PDB    PDBbind8-mer
3eyuRCSB PDB    PDBbind8-mer
3h85RCSB PDB    PDBbind8-mer
3i91RCSB PDB    PDBbind8-mer
3jvkRCSB PDB    PDBbind8-mer
3kzeRCSB PDB    PDBbind8-mer
3mukRCSB PDB    PDBbind8-mer
3n5eRCSB PDB    PDBbind8-mer
3omcRCSB PDB    PDBbind8-mer
3omgRCSB PDB    PDBbind8-mer
3p9lRCSB PDB    PDBbind8-mer
3p9mRCSB PDB    PDBbind8-mer
3pabRCSB PDB    PDBbind8-mer
3qg6RCSB PDB    PDBbind8-mer
3rdvRCSB PDB    PDBbind8-mer
3rwhRCSB PDB    PDBbind8-mer
3rwjRCSB PDB    PDBbind8-mer
3unnRCSB PDB    PDBbind8-mer
3uqpRCSB PDB    PDBbind8-mer
3uriRCSB PDB    PDBbind8-mer
3uyrRCSB PDB    PDBbind8-mer
3zevRCSB PDB    PDBbind8-mer
3zvyRCSB PDB    PDBbind8-mer
3zyrRCSB PDB    PDBbind8-mer
4aa1RCSB PDB    PDBbind8-mer
4aphRCSB PDB    PDBbind8-mer
4aprRCSB PDB    PDBbind8-mer
4dv9RCSB PDB    PDBbind8-mer
4e67RCSB PDB    PDBbind8-mer
4eoyRCSB PDB    PDBbind8-mer
4ep2RCSB PDB    PDBbind8-mer
4eqjRCSB PDB    PDBbind8-mer
4ezrRCSB PDB    PDBbind8-mer
4fmoRCSB PDB    PDBbind8-mer
4fn5RCSB PDB    PDBbind8-mer
4gpkRCSB PDB    PDBbind8-mer
4gvcRCSB PDB    PDBbind8-mer
4gvdRCSB PDB    PDBbind8-mer
4gvuRCSB PDB    PDBbind8-mer
4h36RCSB PDB    PDBbind8-mer
4h75RCSB PDB    PDBbind8-mer
4ii9RCSB PDB    PDBbind8-mer
4jizRCSB PDB    PDBbind8-mer
4lklRCSB PDB    PDBbind8-mer
4lkmRCSB PDB    PDBbind8-mer
4mjiRCSB PDB    PDBbind8-mer
4nxqRCSB PDB    PDBbind8-mer
4nxrRCSB PDB    PDBbind8-mer
4o2fRCSB PDB    PDBbind8-mer
4rxhRCSB PDB    PDBbind8-mer
4y7rRCSB PDB    PDBbind8-mer
4ysiRCSB PDB    PDBbind8-mer
5d7eRCSB PDB    PDBbind8-mer
5e2qRCSB PDB    PDBbind8-mer
5elqRCSB PDB    PDBbind8-mer
5em9RCSB PDB    PDBbind8-mer
5emaRCSB PDB    PDBbind8-mer
5embRCSB PDB    PDBbind8-mer
5fjxRCSB PDB    PDBbind8-mer
5fpiRCSB PDB    PDBbind8-mer
5gmvRCSB PDB    PDBbind8-mer
5hjbRCSB PDB    PDBbind8-mer
5i25RCSB PDB    PDBbind8-mer
5iokRCSB PDB    PDBbind8-mer
5iqlRCSB PDB    PDBbind8-mer
5jjmRCSB PDB    PDBbind8-mer
5mgxRCSB PDB    PDBbind8-mer
5n70RCSB PDB    PDBbind8-mer
5sviRCSB PDB    PDBbind8-mer
5sxmRCSB PDB    PDBbind8-mer
5t6pRCSB PDB    PDBbind8-mer
5t78RCSB PDB    PDBbind8-mer
5tegRCSB PDB    PDBbind8-mer
5tkjRCSB PDB    PDBbind8-mer
5tkkRCSB PDB    PDBbind8-mer
5vwiRCSB PDB    PDBbind8-mer
5vwkRCSB PDB    PDBbind8-mer
5wouRCSB PDB    PDBbind8-mer
5wttRCSB PDB    PDBbind8-mer
5xjmRCSB PDB    PDBbind8-mer
5xn3RCSB PDB    PDBbind8-mer
5ybaRCSB PDB    PDBbind8-mer
6cdmRCSB PDB    PDBbind8-mer
6cdoRCSB PDB    PDBbind8-mer
6cdpRCSB PDB    PDBbind8-mer
6e86RCSB PDB    PDBbind8-mer
6ewwRCSB PDB    PDBbind8-mer
6fauRCSB PDB    PDBbind8-mer
6favRCSB PDB    PDBbind8-mer
6fawRCSB PDB    PDBbind8-mer
6fbwRCSB PDB    PDBbind8-mer
6fbyRCSB PDB    PDBbind8-mer
6felRCSB PDB    PDBbind8-mer
6fi4RCSB PDB    PDBbind8-mer
6fi5RCSB PDB    PDBbind8-mer
6fmpRCSB PDB    PDBbind8-mer
6fx1RCSB PDB    PDBbind8-mer
6hpgRCSB PDB    PDBbind8-mer
6minRCSB PDB    PDBbind8-mer
6miqRCSB PDB    PDBbind8-mer
6q3qRCSB PDB    PDBbind8-mer
6r0xRCSB PDB    PDBbind8-mer
6qk8RCSB PDB    PDBbind8-mer
6q4qRCSB PDB    PDBbind8-mer
6mtvRCSB PDB    PDBbind8-mer
6mtuRCSB PDB    PDBbind8-mer
6ms1RCSB PDB    PDBbind8-mer
6mqeRCSB PDB    PDBbind8-mer
6mqcRCSB PDB    PDBbind8-mer
6jaxRCSB PDB    PDBbind8-mer
6hmtRCSB PDB    PDBbind8-mer
6hhpRCSB PDB    PDBbind8-mer
6dtnRCSB PDB    PDBbind8-mer
6dqlRCSB PDB    PDBbind8-mer
6do1RCSB PDB    PDBbind8-mer
Entry Information
PDB ID3nf3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBotulinum neurotoxin(BoNT/A LC)
Ligand Name8-mer
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=638.1nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Plos One Vol. 5: pp. e11378-e11378
Ligand Properties
Formula C39H71N14O7S
Molecular Weight 880.136
Exact Mass 879.535
No. of atoms 132
No. of bonds 132
Polar Surface Area 402.65
LOGP Value 2.66      (Computed with XLOGP3)
-1.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 21
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): Q7B8V4  
Entrez Gene IDNCBI Entrez Gene ID: 56879027  
ASDInformation of known allosteric effects of PDB entries
 
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