Browse entries in the PDBbind-CN Database

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Related entries of code: 3avj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hyvRCSB PDB    PDBbind166aa, >1HYV_1|Chain... at 98%
1hyzRCSB PDB    PDBbind166aa, >1HYZ_1|Chain... at 98%
1qs4RCSB PDB    PDBbind154aa, >1QS4_1|Chains... at 96%
3ao1RCSB PDB    PDBbind163aa, >3AO1_1|Chains... at 99%
3ao2RCSB PDB    PDBbind163aa, >3AO2_1|Chains... at 97%
3ao4RCSB PDB    PDBbind163aa, >3AO4_1|Chains... at 97%
3ao5RCSB PDB    PDBbind163aa, >3AO5_1|Chains... at 97%
3av9RCSB PDB    PDBbind183aa, >3AV9_1|Chains... *
3avaRCSB PDB    PDBbind183aa, >3AVA_1|Chains... at 100%
3avbRCSB PDB    PDBbind183aa, >3AVB_1|Chains... at 100%
3avfRCSB PDB    PDBbind180aa, >3AVF_1|Chains... at 100%
3avgRCSB PDB    PDBbind183aa, >3AVG_1|Chains... at 100%
3avhRCSB PDB    PDBbind183aa, >3AVH_1|Chains... at 100%
3aviRCSB PDB    PDBbind183aa, >3AVI_1|Chains... at 100%
3avkRCSB PDB    PDBbind183aa, >3AVK_1|Chains... at 100%
3avlRCSB PDB    PDBbind183aa, >3AVL_1|Chains... at 100%
3avmRCSB PDB    PDBbind183aa, >3AVM_1|Chains... at 100%
3avnRCSB PDB    PDBbind183aa, >3AVN_1|Chains... at 100%
3lptRCSB PDB    PDBbind166aa, >3LPT_1|Chain... at 98%
3lpuRCSB PDB    PDBbind166aa, >3LPU_1|Chain... at 98%
3nf6RCSB PDB    PDBbind183aa, >3NF6_1|Chains... at 100%
3nf7RCSB PDB    PDBbind183aa, >3NF7_1|Chains... at 100%
3nf8RCSB PDB    PDBbind183aa, >3NF8_1|Chains... at 100%
3nf9RCSB PDB    PDBbind183aa, >3NF9_1|Chains... at 100%
3ovnRCSB PDB    PDBbind163aa, >3OVN_1|Chains... at 99%
3zsoRCSB PDB    PDBbind167aa, >3ZSO_1|Chains... at 100%
3zsqRCSB PDB    PDBbind167aa, >3ZSQ_1|Chains... at 100%
3zswRCSB PDB    PDBbind167aa, >3ZSW_1|Chains... at 100%
3zsxRCSB PDB    PDBbind167aa, >3ZSX_1|Chains... at 100%
3zsyRCSB PDB    PDBbind167aa, >3ZSY_1|Chains... at 100%
3zszRCSB PDB    PDBbind167aa, >3ZSZ_1|Chains... at 100%
3zt1RCSB PDB    PDBbind167aa, >3ZT1_1|Chains... at 100%
3zt2RCSB PDB    PDBbind167aa, >3ZT2_1|Chains... at 100%
3zt3RCSB PDB    PDBbind167aa, >3ZT3_1|Chains... at 100%
3zt4RCSB PDB    PDBbind167aa, >3ZT4_1|Chains... at 100%
4ah9RCSB PDB    PDBbind183aa, >4AH9_1|Chains... at 100%
4ahrRCSB PDB    PDBbind183aa, >4AHR_1|Chains... at 100%
4ahsRCSB PDB    PDBbind183aa, >4AHS_1|Chains... at 100%
4ahuRCSB PDB    PDBbind183aa, >4AHU_1|Chains... at 100%
4ahvRCSB PDB    PDBbind183aa, >4AHV_1|Chains... at 100%
4cebRCSB PDB    PDBbind183aa, >4CEB_1|Chains... at 100%
4cgiRCSB PDB    PDBbind183aa, >4CGI_1|Chains... at 100%
4cgjRCSB PDB    PDBbind183aa, >4CGJ_1|Chains... at 100%
4cigRCSB PDB    PDBbind183aa, >4CIG_1|Chains... at 100%
4cj4RCSB PDB    PDBbind183aa, >4CJ4_1|Chains... at 100%
4cjpRCSB PDB    PDBbind183aa, >4CJP_1|Chains... at 100%
4cjqRCSB PDB    PDBbind183aa, >4CJQ_1|Chains... at 100%
4cjrRCSB PDB    PDBbind183aa, >4CJR_1|Chains... at 100%
4ck3RCSB PDB    PDBbind183aa, >4CK3_1|Chains... at 100%
4dmnRCSB PDB    PDBbind163aa, >4DMN_1|Chain... at 98%
4e1mRCSB PDB    PDBbind166aa, >4E1M_1|Chain... at 97%
4e1nRCSB PDB    PDBbind166aa, >4E1N_1|Chain... at 97%
4gvmRCSB PDB    PDBbind163aa, >4GVM_1|Chain... at 97%
4gw6RCSB PDB    PDBbind163aa, >4GW6_1|Chain... at 98%
4jlhRCSB PDB    PDBbind163aa, >4JLH_1|Chain... at 97%
4lh5RCSB PDB    PDBbind182aa, >4LH5_1|Chain... at 97%
4nyfRCSB PDB    PDBbind168aa, >4NYF_1|Chains... at 97%
4o0jRCSB PDB    PDBbind163aa, >4O0J_1|Chain... at 98%
4o55RCSB PDB    PDBbind163aa, >4O55_1|Chain... at 98%
4o5bRCSB PDB    PDBbind163aa, >4O5B_1|Chain... at 97%
4ojrRCSB PDB    PDBbind164aa, >4OJR_1|Chain... at 95%
4tsxRCSB PDB    PDBbind163aa, >4TSX_1|Chain... at 97%
5kgwRCSB PDB    PDBbind163aa, >5KGW_1|Chain... at 98%
5kgxRCSB PDB    PDBbind163aa, >5KGX_1|Chain... at 97%
6ncjRCSB PDB    PDBbind180aa, >6NCJ_1|Chain... at 100%
6eb2RCSB PDB    PDBbind183aa, >6EB2_1|Chain... at 98%
6eb1RCSB PDB    PDBbind183aa, >6EB1_1|Chain... at 98%
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
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
3nf3RCSB 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 ID3avj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameIntegrase(C56S, F139D, F185H mutation)
Ligand Name8-mer
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50>500uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Chembiochem.Vol. 12: pp. 2311-2315.
Ligand Properties
Formula C38H65N10O13S
Molecular Weight 902.047
Exact Mass 901.445
No. of atoms 127
No. of bonds 127
Polar Surface Area 403.43
LOGP Value -1.63      (Computed with XLOGP3)
-0.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 23
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): P12497  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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