Browse entries in the PDBbind-CN Database

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Related entries of code: 5aa8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2xb7RCSB PDB    PDBbind315aa, >2XB7_1|Chain... at 99%
2xbaRCSB PDB    PDBbind315aa, >2XBA_1|Chain... at 99%
2xp2RCSB PDB    PDBbind327aa, >2XP2_1|Chain... at 96%
2yfxRCSB PDB    PDBbind327aa, >2YFX_1|Chain... at 96%
3aoxRCSB PDB    PDBbind344aa, >3AOX_1|Chain... at 99%
4anqRCSB PDB    PDBbind342aa, >4ANQ_1|Chain... at 92%
4cd0RCSB PDB    PDBbind342aa, >4CD0_1|Chain... at 92%
4cliRCSB PDB    PDBbind327aa, >4CLI_1|Chain... at 96%
4cljRCSB PDB    PDBbind327aa, >4CLJ_1|Chain... at 96%
4cmoRCSB PDB    PDBbind327aa, >4CMO_1|Chain... at 96%
4cmtRCSB PDB    PDBbind327aa, >4CMT_1|Chain... at 96%
4cmuRCSB PDB    PDBbind327aa, >4CMU_1|Chain... at 96%
4cnhRCSB PDB    PDBbind327aa, >4CNH_1|Chains... at 96%
4dceRCSB PDB    PDBbind333aa, >4DCE_1|Chains... at 100%
4fnyRCSB PDB    PDBbind327aa, >4FNY_1|Chain... at 99%
4fnzRCSB PDB    PDBbind327aa, >4FNZ_1|Chain... at 100%
4fobRCSB PDB    PDBbind353aa, >4FOB_1|Chain... *
4focRCSB PDB    PDBbind353aa, >4FOC_1|Chain... at 100%
4fodRCSB PDB    PDBbind333aa, >4FOD_1|Chain... at 100%
4joaRCSB PDB    PDBbind344aa, >4JOA_1|Chain... at 98%
5a9uRCSB PDB    PDBbind327aa, >5A9U_1|Chain... at 96%
5aa9RCSB PDB    PDBbind327aa, >5AA9_1|Chain... at 96%
5aaaRCSB PDB    PDBbind327aa, >5AAA_1|Chain... at 96%
5aabRCSB PDB    PDBbind327aa, >5AAB_1|Chain... at 96%
5aacRCSB PDB    PDBbind327aa, >5AAC_1|Chain... at 96%
5ftoRCSB PDB    PDBbind315aa, >5FTO_1|Chain... at 99%
5ftqRCSB PDB    PDBbind315aa, >5FTQ_1|Chain... at 99%
5iugRCSB PDB    PDBbind327aa, >5IUG_1|Chain... at 100%
5iuhRCSB PDB    PDBbind327aa, >5IUH_1|Chain... at 100%
5iuiRCSB PDB    PDBbind327aa, >5IUI_1|Chain... at 100%
5kz0RCSB PDB    PDBbind327aa, >5KZ0_1|Chain... at 96%
6mx8RCSB PDB    PDBbind307aa, >6MX8_1|Chain... at 99%
6edlRCSB PDB    PDBbind322aa, >6EDL_1|Chain... at 98%
6ebwRCSB PDB    PDBbind322aa, >6EBW_1|Chain... at 98%
6e0rRCSB PDB    PDBbind322aa, >6E0R_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4cliRCSB PDB    PDBbind5P8
4cljRCSB PDB    PDBbind5P8
4uxlRCSB PDB    PDBbind5P8
5a9uRCSB PDB    PDBbind5P8
5aa9RCSB PDB    PDBbind5P8
Entry Information
PDB ID5aa8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAnaplastic lymphoma kinase (ALK) C1156Y/L1198F mutant
Ligand Name5P8
EC.Number E.C.2.7.10.1
Resolution 1.86(Å)
Affinity (Kd/Ki/IC50)Ki=8.6nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) N.Engl.J.Med. Vol. 374: pp. 54-61
Ligand Properties
Formula C21H19FN6O2
Molecular Weight 406.413
Exact Mass 406.155
No. of atoms 49
No. of bonds 52
Polar Surface Area 110.06
LOGP Value 1.53      (Computed with XLOGP3)
3.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 8
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): Q9UM73  
Entrez Gene IDNCBI Entrez Gene ID: 238  
ASDInformation of known allosteric effects of PDB entries
 
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