Browse entries in the PDBbind-CN Database

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Related entries of code: 4o0r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3fxzRCSB PDB    PDBbind297aa, >3FXZ_1|Chain... at 100%
3fy0RCSB PDB    PDBbind297aa, >3FY0_1|Chain... at 100%
4dawRCSB PDB    PDBbind297aa, >4DAW_1|Chain... at 100%
4eqcRCSB PDB    PDBbind301aa, >4EQC_1|Chain... *
4o0tRCSB PDB    PDBbind300aa, >4O0T_1|Chains... at 98%
4p90RCSB PDB    PDBbind297aa, >4P90_1|Chains... at 98%
4zjiRCSB PDB    PDBbind299aa, >4ZJI_1|Chains... at 98%
4zjjRCSB PDB    PDBbind299aa, >4ZJJ_1|Chains... at 98%
4zloRCSB PDB    PDBbind297aa, >4ZLO_1|Chains... at 99%
4zy4RCSB PDB    PDBbind301aa, >4ZY4_1|Chains... at 98%
4zy5RCSB PDB    PDBbind301aa, >4ZY5_1|Chains... at 98%
4zy6RCSB PDB    PDBbind301aa, >4ZY6_1|Chains... at 98%
5deyRCSB PDB    PDBbind297aa, >5DEY_1|Chains... at 98%
5dfpRCSB PDB    PDBbind297aa, >5DFP_1|Chain... at 100%
5imeRCSB PDB    PDBbind300aa, >5IME_1|Chains... at 98%
5kbqRCSB PDB    PDBbind289aa, >5KBQ_1|Chains... at 98%
5kbrRCSB PDB    PDBbind289aa, >5KBR_1|Chains... at 98%
6b16RCSB PDB    PDBbind301aa, >6B16_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2x4zRCSB PDB    PDBbindX4Z
Entry Information
PDB ID4o0r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase PAK1
Ligand NameX4Z
EC.Number E.C.2.7.11.1
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=36nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 1033-1045
Ligand Properties
Formula C25H31N8OS
Molecular Weight 491.632
Exact Mass 491.234
No. of atoms 66
No. of bonds 70
Polar Surface Area 131.51
LOGP Value 3.10      (Computed with XLOGP3)
3.51      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
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): Q13153  
Entrez Gene IDNCBI Entrez Gene ID: 5058  
ASDInformation of known allosteric effects of PDB entries
 
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