Browse entries in the PDBbind-CN Database

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Related entries of code: 6aak
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3lxkRCSB PDB    PDBbind327aa, >3LXK_1|Chain... *
3lxlRCSB PDB    PDBbind327aa, >3LXL_1|Chain... at 100%
3pjcRCSB PDB    PDBbind315aa, >3PJC_1|Chain... at 99%
3zc6RCSB PDB    PDBbind288aa, >3ZC6_1|Chains... at 99%
3zepRCSB PDB    PDBbind288aa, >3ZEP_1|Chains... at 99%
4hvdRCSB PDB    PDBbind314aa, >4HVD_1|Chain... at 99%
4hvgRCSB PDB    PDBbind314aa, >4HVG_1|Chain... at 99%
4hvhRCSB PDB    PDBbind314aa, >4HVH_1|Chain... at 99%
4hviRCSB PDB    PDBbind314aa, >4HVI_1|Chain... at 99%
4i6qRCSB PDB    PDBbind314aa, >4I6Q_1|Chain... at 99%
4qpsRCSB PDB    PDBbind293aa, >4QPS_1|Chains... at 99%
4qt1RCSB PDB    PDBbind314aa, >4QT1_1|Chain... at 99%
4rioRCSB PDB    PDBbind293aa, >4RIO_1|Chain... at 98%
4z16RCSB PDB    PDBbind316aa, >4Z16_1|Chains... at 98%
5lwmRCSB PDB    PDBbind294aa, >5LWM_1|Chain... at 98%
5lwnRCSB PDB    PDBbind294aa, >5LWN_1|Chain... at 98%
5tozRCSB PDB    PDBbind321aa, >5TOZ_1|Chain... at 100%
5ttsRCSB PDB    PDBbind321aa, >5TTS_1|Chain... at 100%
5ttuRCSB PDB    PDBbind321aa, >5TTU_1|Chain... at 100%
5ttvRCSB PDB    PDBbind321aa, >5TTV_1|Chain... at 100%
5vo6RCSB PDB    PDBbind293aa, >5VO6_1|Chain... at 98%
5w86RCSB PDB    PDBbind287aa, >5W86_1|Chains... at 99%
5wfjRCSB PDB    PDBbind293aa, >5WFJ_1|Chain... at 98%
6da4RCSB PDB    PDBbind321aa, >6DA4_1|Chain... at 100%
6db3RCSB PDB    PDBbind321aa, >6DB3_1|Chain... at 100%
6db4RCSB PDB    PDBbind321aa, >6DB4_1|Chain... at 100%
6dudRCSB PDB    PDBbind321aa, >6DUD_1|Chain... at 100%
6gl9RCSB PDB    PDBbind294aa, >6GL9_1|Chains... at 98%
6glaRCSB PDB    PDBbind294aa, >6GLA_1|Chains... at 98%
6glbRCSB PDB    PDBbind294aa, >6GLB_1|Chains... at 98%
6ny4RCSB PDB    PDBbind293aa, >6NY4_1|Chain... at 98%
6hzvRCSB PDB    PDBbind285aa, >6HZV_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6aahRCSB PDB    PDBbind9T6
6aajRCSB PDB    PDBbind9T6
6aamRCSB PDB    PDBbind9T6
Entry Information
PDB ID6aak
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameJanus kinases 3
Ligand Name9T6
EC.Number E.C.-.-.-.-
Resolution 2.67(Å)
Affinity (Kd/Ki/IC50)IC50=0.71nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Bioorg. Med. Chem. Vol. 26: pp. 4971-4983
Ligand Properties
Formula C18H22N4O2
Molecular Weight 326.393
Exact Mass 326.174
No. of atoms 46
No. of bonds 50
Polar Surface Area 104.03
LOGP Value 1.87      (Computed with XLOGP3)
2.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
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): P52333  
Entrez Gene IDNCBI Entrez Gene ID: 3718  
ASDInformation of known allosteric effects of PDB entries
 
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