Browse entries in the PDBbind-CN Database

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Related entries of code: 4e81
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ezqRCSB PDB    PDBbind219aa, >4EZQ_1|Chain... at 96%
4ezrRCSB PDB    PDBbind219aa, >4EZR_1|Chain... at 96%
4eztRCSB PDB    PDBbind219aa, >4EZT_1|Chain... at 96%
4ezwRCSB PDB    PDBbind219aa, >4EZW_1|Chains... at 96%
4ezxRCSB PDB    PDBbind219aa, >4EZX_1|Chains... at 96%
4ezyRCSB PDB    PDBbind219aa, >4EZY_1|Chain... at 96%
4ezzRCSB PDB    PDBbind219aa, >4EZZ_1|Chain... at 96%
4jn4RCSB PDB    PDBbind608aa, >4JN4_1|Chains... *
4jneRCSB PDB    PDBbind608aa, >4JNE_1|Chains... at 100%
4r5gRCSB PDB    PDBbind230aa, >4R5G_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1aqcRCSB PDB    PDBbind10-mer
1awiRCSB PDB    PDBbind10-mer
1azeRCSB PDB    PDBbind10-mer
1bjrRCSB PDB    PDBbind10-mer
1ckaRCSB PDB    PDBbind10-mer
1ckbRCSB PDB    PDBbind10-mer
1eb1RCSB PDB    PDBbind10-mer
1gbqRCSB PDB    PDBbind10-mer
1gvuRCSB PDB    PDBbind10-mer
1himRCSB PDB    PDBbind10-mer
1jd5RCSB PDB    PDBbind10-mer
1jd6RCSB PDB    PDBbind10-mer
1jmqRCSB PDB    PDBbind10-mer
1pywRCSB PDB    PDBbind10-mer
1vj6RCSB PDB    PDBbind10-mer
1vr1RCSB PDB    PDBbind10-mer
1y2aRCSB PDB    PDBbind10-mer
1ywiRCSB PDB    PDBbind10-mer
1yy6RCSB PDB    PDBbind10-mer
1zkkRCSB PDB    PDBbind10-mer
2a0tRCSB PDB    PDBbind10-mer
2aohRCSB PDB    PDBbind10-mer
2aojRCSB PDB    PDBbind10-mer
2axiRCSB PDB    PDBbind10-mer
2azmRCSB PDB    PDBbind10-mer
2b7fRCSB PDB    PDBbind10-mer
2c2lRCSB PDB    PDBbind10-mer
2gfaRCSB PDB    PDBbind10-mer
2h13RCSB PDB    PDBbind10-mer
2hrpRCSB PDB    PDBbind10-mer
2ig0RCSB PDB    PDBbind10-mer
2jmjRCSB PDB    PDBbind10-mer
2jqiRCSB PDB    PDBbind10-mer
2jqlRCSB PDB    PDBbind10-mer
2k2rRCSB PDB    PDBbind10-mer
2ke1RCSB PDB    PDBbind10-mer
2mnzRCSB PDB    PDBbind10-mer
2nxdRCSB PDB    PDBbind10-mer
2nxlRCSB PDB    PDBbind10-mer
2nxmRCSB PDB    PDBbind10-mer
2o9vRCSB PDB    PDBbind10-mer
2pehRCSB PDB    PDBbind10-mer
2pr9RCSB PDB    PDBbind10-mer
2puyRCSB PDB    PDBbind10-mer
2qqsRCSB PDB    PDBbind10-mer
2r3yRCSB PDB    PDBbind10-mer
2r7gRCSB PDB    PDBbind10-mer
2rr4RCSB PDB    PDBbind10-mer
2v7dRCSB PDB    PDBbind10-mer
2vnfRCSB PDB    PDBbind10-mer
2w6tRCSB PDB    PDBbind10-mer
2w77RCSB PDB    PDBbind10-mer
2wa8RCSB PDB    PDBbind10-mer
2wp1RCSB PDB    PDBbind10-mer
2z5oRCSB PDB    PDBbind10-mer
3al3RCSB PDB    PDBbind10-mer
3bh8RCSB PDB    PDBbind10-mer
3bh9RCSB PDB    PDBbind10-mer
3bhbRCSB PDB    PDBbind10-mer
3c94RCSB PDB    PDBbind10-mer
3d1eRCSB PDB    PDBbind10-mer
3diwRCSB PDB    PDBbind10-mer
3dnjRCSB PDB    PDBbind10-mer
3dpcRCSB PDB    PDBbind10-mer
3dvpRCSB PDB    PDBbind10-mer
3ebbRCSB PDB    PDBbind10-mer
3er5RCSB PDB    PDBbind10-mer
3f9wRCSB PDB    PDBbind10-mer
3f9yRCSB PDB    PDBbind10-mer
3fe7RCSB PDB    PDBbind10-mer
3feaRCSB PDB    PDBbind10-mer
3gbqRCSB PDB    PDBbind10-mer
3gdsRCSB PDB    PDBbind10-mer
3hg1RCSB PDB    PDBbind10-mer
3iqjRCSB PDB    PDBbind10-mer
3ivvRCSB PDB    PDBbind10-mer
3nkxRCSB PDB    PDBbind10-mer
3oq5RCSB PDB    PDBbind10-mer
3pujRCSB PDB    PDBbind10-mer
3pukRCSB PDB    PDBbind10-mer
3pxeRCSB PDB    PDBbind10-mer
3q8dRCSB PDB    PDBbind10-mer
3qztRCSB PDB    PDBbind10-mer
3rwiRCSB PDB    PDBbind10-mer
3shvRCSB PDB    PDBbind10-mer
3szmRCSB PDB    PDBbind10-mer
3tkzRCSB PDB    PDBbind10-mer
3tl0RCSB PDB    PDBbind10-mer
3uiiRCSB PDB    PDBbind10-mer
3uikRCSB PDB    PDBbind10-mer
3uvmRCSB PDB    PDBbind10-mer
3zmpRCSB PDB    PDBbind10-mer
3zmqRCSB PDB    PDBbind10-mer
4bg6RCSB PDB    PDBbind10-mer
4e34RCSB PDB    PDBbind10-mer
4e35RCSB PDB    PDBbind10-mer
4e3bRCSB PDB    PDBbind10-mer
4e9dRCSB PDB    PDBbind10-mer
4er4RCSB PDB    PDBbind10-mer
4h39RCSB PDB    PDBbind10-mer
4h3bRCSB PDB    PDBbind10-mer
4hczRCSB PDB    PDBbind10-mer
4i2wRCSB PDB    PDBbind10-mer
4i2zRCSB PDB    PDBbind10-mer
4jfdRCSB PDB    PDBbind10-mer
4jfeRCSB PDB    PDBbind10-mer
4jffRCSB PDB    PDBbind10-mer
4jjqRCSB PDB    PDBbind10-mer
4joeRCSB PDB    PDBbind10-mer
4jofRCSB PDB    PDBbind10-mer
4jogRCSB PDB    PDBbind10-mer
4johRCSB PDB    PDBbind10-mer
4jojRCSB PDB    PDBbind10-mer
4jokRCSB PDB    PDBbind10-mer
4k6yRCSB PDB    PDBbind10-mer
4k72RCSB PDB    PDBbind10-mer
4k75RCSB PDB    PDBbind10-mer
4k76RCSB PDB    PDBbind10-mer
4k78RCSB PDB    PDBbind10-mer
4lnpRCSB PDB    PDBbind10-mer
4mdrRCSB PDB    PDBbind10-mer
4n84RCSB PDB    PDBbind10-mer
4nmoRCSB PDB    PDBbind10-mer
4nmpRCSB PDB    PDBbind10-mer
4nmqRCSB PDB    PDBbind10-mer
4nmrRCSB PDB    PDBbind10-mer
4nmsRCSB PDB    PDBbind10-mer
4nmtRCSB PDB    PDBbind10-mer
4nmvRCSB PDB    PDBbind10-mer
4o2cRCSB PDB    PDBbind10-mer
4oz1RCSB PDB    PDBbind10-mer
4p0aRCSB PDB    PDBbind10-mer
4p0bRCSB PDB    PDBbind10-mer
4qokRCSB PDB    PDBbind10-mer
4rqzRCSB PDB    PDBbind10-mer
4u90RCSB PDB    PDBbind10-mer
4v11RCSB PDB    PDBbind10-mer
4wj5RCSB PDB    PDBbind10-mer
4x1nRCSB PDB    PDBbind10-mer
4x1pRCSB PDB    PDBbind10-mer
4x1qRCSB PDB    PDBbind10-mer
4x1rRCSB PDB    PDBbind10-mer
4x1sRCSB PDB    PDBbind10-mer
4x34RCSB PDB    PDBbind10-mer
4x3sRCSB PDB    PDBbind10-mer
4x8nRCSB PDB    PDBbind10-mer
4xhvRCSB PDB    PDBbind10-mer
4z0uRCSB PDB    PDBbind10-mer
4z7iRCSB PDB    PDBbind10-mer
4zhlRCSB PDB    PDBbind10-mer
4zhmRCSB PDB    PDBbind10-mer
5ab0RCSB PDB    PDBbind10-mer
5aeiRCSB PDB    PDBbind10-mer
5azgRCSB PDB    PDBbind10-mer
5c0mRCSB PDB    PDBbind10-mer
5c11RCSB PDB    PDBbind10-mer
5c13RCSB PDB    PDBbind10-mer
5d6yRCSB PDB    PDBbind10-mer
5gp7RCSB PDB    PDBbind10-mer
5gs4RCSB PDB    PDBbind10-mer
5gtrRCSB PDB    PDBbind10-mer
5iawRCSB PDB    PDBbind10-mer
5j31RCSB PDB    PDBbind10-mer
5jziRCSB PDB    PDBbind10-mer
5myoRCSB PDB    PDBbind10-mer
5n1yRCSB PDB    PDBbind10-mer
5nx2RCSB PDB    PDBbind10-mer
5t6zRCSB PDB    PDBbind10-mer
5t70RCSB PDB    PDBbind10-mer
5t8rRCSB PDB    PDBbind10-mer
5vnbRCSB PDB    PDBbind10-mer
5w7iRCSB PDB    PDBbind10-mer
5w7jRCSB PDB    PDBbind10-mer
5wkfRCSB PDB    PDBbind10-mer
5wkhRCSB PDB    PDBbind10-mer
6ar2RCSB PDB    PDBbind10-mer
6buuRCSB PDB    PDBbind10-mer
6fkpRCSB PDB    PDBbind10-mer
6mimRCSB PDB    PDBbind10-mer
6qtxRCSB PDB    PDBbind10-mer
6pekRCSB PDB    PDBbind10-mer
6iiwRCSB PDB    PDBbind10-mer
6hzxRCSB PDB    PDBbind10-mer
6hoiRCSB PDB    PDBbind10-mer
6dkpRCSB PDB    PDBbind10-mer
6a8nRCSB PDB    PDBbind10-mer
5zysRCSB PDB    PDBbind10-mer
Entry Information
PDB ID4e81
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameChaperone protein DnaK
Ligand Name10-mer
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=5.8uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Chem.Biol. Vol. 7: pp. 1281-1291
Ligand Properties
Formula C47H80N15O9
Molecular Weight 999.233
Exact Mass 998.626
No. of atoms 151
No. of bonds 154
Polar Surface Area 400.31
LOGP Value 3.10      (Computed with XLOGP3)
-2.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 4
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): Q06602  P0A6Y8  
Entrez Gene IDNCBI Entrez Gene ID: 61752736  944750  
ASDInformation of known allosteric effects of PDB entries
 
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