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Related entries of code: 3d9v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2esmRCSB PDB    PDBbind415aa, >2ESM_1|Chains... at 98%
2etkRCSB PDB    PDBbind415aa, >2ETK_1|Chains... at 98%
2etrRCSB PDB    PDBbind415aa, >2ETR_1|Chains... at 98%
3nczRCSB PDB    PDBbind415aa, >3NCZ_1|Chains... at 98%
3ndmRCSB PDB    PDBbind415aa, >3NDM_1|Chains... at 98%
3tv7RCSB PDB    PDBbind410aa, >3TV7_1|Chains... at 100%
3twjRCSB PDB    PDBbind410aa, >3TWJ_1|Chains... at 100%
3v8sRCSB PDB    PDBbind410aa, >3V8S_1|Chains... at 100%
4w7pRCSB PDB    PDBbind411aa, >4W7P_1|Chains... at 98%
4yvcRCSB PDB    PDBbind415aa, >4YVC_1|Chains... at 98%
4yveRCSB PDB    PDBbind415aa, >4YVE_1|Chains... at 98%
5bmlRCSB PDB    PDBbind415aa, >5BML_1|Chains... at 98%
5hvuRCSB PDB    PDBbind415aa, >5HVU_1|Chains... at 98%
5kksRCSB PDB    PDBbind415aa, >5KKS_1|Chains... at 98%
5kktRCSB PDB    PDBbind415aa, >5KKT_1|Chains... at 98%
5uzjRCSB PDB    PDBbind415aa, >5UZJ_1|Chains... at 98%
6e9wRCSB PDB    PDBbind443aa, >6E9W_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1q8uRCSB PDB    PDBbindH52
2gnhRCSB PDB    PDBbindH52
2gnlRCSB PDB    PDBbindH52
Entry Information
PDB ID3d9v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namerho-associated protein kinase 1
Ligand NameH52
EC.Number E.C.2.7.1.37
Resolution 3.3(Å)
Affinity (Kd/Ki/IC50)Ki=6nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v281 pp. 260-8, 2006
Ligand Properties
Formula C16H22N3O2S
Molecular Weight 320.430
Exact Mass 320.143
No. of atoms 44
No. of bonds 46
Polar Surface Area 75.26
LOGP Value 1.75      (Computed with XLOGP3)
3.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): Q13464  
Entrez Gene IDNCBI Entrez Gene ID: 6093  
ASDInformation of known allosteric effects of PDB entries
 
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