Browse entries in the PDBbind-CN Database

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Related entries of code: 3oct
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3genRCSB PDB    PDBbind283aa, >3GEN_1|Chain... at 96%
3k54RCSB PDB    PDBbind283aa, >3K54_1|Chain... at 96%
3pixRCSB PDB    PDBbind274aa, >3PIX_1|Chain... at 100%
3piyRCSB PDB    PDBbind274aa, >3PIY_1|Chain... at 100%
3pizRCSB PDB    PDBbind274aa, >3PIZ_1|Chain... at 100%
3pj1RCSB PDB    PDBbind274aa, >3PJ1_1|Chain... at 100%
3pj2RCSB PDB    PDBbind274aa, >3PJ2_1|Chain... at 100%
3pj3RCSB PDB    PDBbind274aa, >3PJ3_1|Chain... at 100%
4nwmRCSB PDB    PDBbind263aa, >4NWM_1|Chains... at 99%
4ot6RCSB PDB    PDBbind283aa, >4OT6_1|Chain... at 95%
4otfRCSB PDB    PDBbind271aa, >4OTF_1|Chain... at 97%
4rfyRCSB PDB    PDBbind283aa, >4RFY_1|Chain... at 95%
4rfzRCSB PDB    PDBbind283aa, >4RFZ_1|Chain... at 95%
4rg0RCSB PDB    PDBbind283aa, >4RG0_1|Chain... at 95%
4rx5RCSB PDB    PDBbind271aa, >4RX5_1|Chain... at 97%
4yhfRCSB PDB    PDBbind278aa, >4YHF_1|Chains... at 98%
4z3vRCSB PDB    PDBbind283aa, >4Z3V_1|Chain... at 96%
4zlyRCSB PDB    PDBbind270aa, >4ZLY_1|Chain... at 100%
4zlzRCSB PDB    PDBbind270aa, >4ZLZ_1|Chain... at 100%
5bq0RCSB PDB    PDBbind283aa, >5BQ0_1|Chain... at 96%
5fbnRCSB PDB    PDBbind271aa, >5FBN_1|Chains... at 100%
5fboRCSB PDB    PDBbind271aa, >5FBO_1|Chain... at 100%
5j87RCSB PDB    PDBbind274aa, >5J87_1|Chains... at 99%
5jrsRCSB PDB    PDBbind267aa, >5JRS_1|Chains... at 99%
5kupRCSB PDB    PDBbind271aa, >5KUP_1|Chain... at 97%
5t18RCSB PDB    PDBbind267aa, >5T18_1|Chain... at 99%
5u9dRCSB PDB    PDBbind271aa, >5U9D_1|Chain... at 100%
5vgoRCSB PDB    PDBbind271aa, >5VGO_1|Chain... at 97%
5xyzRCSB PDB    PDBbind265aa, >5XYZ_1|Chains... at 99%
5zz4RCSB PDB    PDBbind268aa, >5ZZ4_1|Chains... at 98%
6di0RCSB PDB    PDBbind271aa, >6DI0_1|Chain... at 100%
6di1RCSB PDB    PDBbind271aa, >6DI1_1|Chain... at 100%
6e4fRCSB PDB    PDBbind290aa, >6E4F_1|Chain... *
6o8iRCSB PDB    PDBbind269aa, >6O8I_1|Chain... at 100%
6nzmRCSB PDB    PDBbind280aa, >6NZM_1|Chains... at 97%
6nfiRCSB PDB    PDBbind268aa, >6NFI_1|Chain... at 100%
6nfhRCSB PDB    PDBbind271aa, >6NFH_1|Chain... at 100%
6n9pRCSB PDB    PDBbind271aa, >6N9P_1|Chain... at 100%
6mnyRCSB PDB    PDBbind276aa, >6MNY_1|Chains... at 97%
6j6mRCSB PDB    PDBbind269aa, >6J6M_1|Chain... at 99%
6hrtRCSB PDB    PDBbind283aa, >6HRT_1|Chain... at 95%
6hrpRCSB PDB    PDBbind283aa, >6HRP_1|Chain... at 95%
6ep9RCSB PDB    PDBbind283aa, >6EP9_1|Chain... at 95%
6blnRCSB PDB    PDBbind287aa, >6BLN_1|Chain... at 92%
6bkwRCSB PDB    PDBbind287aa, >6BKW_1|Chain... at 92%
6bikRCSB PDB    PDBbind287aa, >6BIK_1|Chain... at 92%
6omuRCSB PDB    PDBbind271aa, >6OMU_1|Chain... at 100%
6bkhRCSB PDB    PDBbind287aa, >6BKH_1|Chain... at 92%
6bkeRCSB PDB    PDBbind287aa, >6BKE_1|Chain... at 92%
6s90RCSB PDB    PDBbind266aa, >6S90_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2y6oRCSB PDB    PDBbind1N1
2zvaRCSB PDB    PDBbind1N1
3g5dRCSB PDB    PDBbind1N1
3k54RCSB PDB    PDBbind1N1
4qmsRCSB PDB    PDBbind1N1
5bvwRCSB PDB    PDBbind1N1
5h2uRCSB PDB    PDBbind1N1
5i9yRCSB PDB    PDBbind1N1
5vcvRCSB PDB    PDBbind1N1
Entry Information
PDB ID3oct
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman bruton's tyrosine kinase (BTK) mutant V555R
Ligand Name1N1
EC.Number E.C.2.7.10.2
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=5nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J. Med. Chem., Vol.55, pp.4539-4550
Ligand Properties
Formula C22H27ClN7O2S
Molecular Weight 489.013
Exact Mass 488.164
No. of atoms 60
No. of bonds 63
Polar Surface Area 135.95
LOGP Value 3.59      (Computed with XLOGP3)
3.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): Q06187  
Entrez Gene IDNCBI Entrez Gene ID: 695  
ASDInformation of known allosteric effects of PDB entries
 
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