Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 6ay3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2l84RCSB PDB    PDBbind121aa, >2L84_1|Chain... at 96%
3p1dRCSB PDB    PDBbind119aa, >3P1D_1|Chains... at 98%
4tqnRCSB PDB    PDBbind119aa, >4TQN_1|Chain... at 98%
4yk0RCSB PDB    PDBbind114aa, >4YK0_1|Chains... at 100%
5dbmRCSB PDB    PDBbind118aa, >5DBM_1|Chains... at 98%
5engRCSB PDB    PDBbind119aa, >5ENG_1|Chain... at 98%
5ep7RCSB PDB    PDBbind119aa, >5EP7_1|Chain... at 98%
5h85RCSB PDB    PDBbind119aa, >5H85_1|Chain... at 98%
5i83RCSB PDB    PDBbind118aa, >5I83_1|Chain... at 98%
5i86RCSB PDB    PDBbind118aa, >5I86_1|Chains... at 98%
5i89RCSB PDB    PDBbind118aa, >5I89_1|Chain... at 98%
5i8bRCSB PDB    PDBbind264aa, >5I8B_1|Chain... *
5i8gRCSB PDB    PDBbind264aa, >5I8G_1|Chain... at 100%
5j0dRCSB PDB    PDBbind119aa, >5J0D_1|Chain... at 98%
5ktuRCSB PDB    PDBbind118aa, >5KTU_1|Chains... at 98%
5ktwRCSB PDB    PDBbind114aa, >5KTW_1|Chains... at 97%
5ktxRCSB PDB    PDBbind114aa, >5KTX_1|Chain... at 97%
5lpjRCSB PDB    PDBbind119aa, >5LPJ_1|Chain... at 98%
5lpkRCSB PDB    PDBbind122aa, >5LPK_1|Chains... at 92%
5lplRCSB PDB    PDBbind119aa, >5LPL_1|Chain... at 98%
5lpmRCSB PDB    PDBbind116aa, >5LPM_1|Chains... at 94%
5mmeRCSB PDB    PDBbind119aa, >5MME_1|Chains... at 98%
5mmgRCSB PDB    PDBbind119aa, >5MMG_1|Chain... at 98%
5mpkRCSB PDB    PDBbind119aa, >5MPK_1|Chains... at 98%
5mpnRCSB PDB    PDBbind119aa, >5MPN_1|Chain... at 98%
5mpzRCSB PDB    PDBbind119aa, >5MPZ_1|Chain... at 98%
5mqeRCSB PDB    PDBbind119aa, >5MQE_1|Chains... at 98%
5nlkRCSB PDB    PDBbind119aa, >5NLK_1|Chain... at 98%
5nu3RCSB PDB    PDBbind119aa, >5NU3_1|Chain... at 98%
5nu5RCSB PDB    PDBbind116aa, >5NU5_1|Chains... at 94%
5tb6RCSB PDB    PDBbind119aa, >5TB6_1|Chain... at 98%
5w0eRCSB PDB    PDBbind148aa, >5W0E_1|Chain... at 100%
5w0fRCSB PDB    PDBbind148aa, >5W0F_1|Chain... at 100%
5w0iRCSB PDB    PDBbind148aa, >5W0I_1|Chain... at 100%
5w0lRCSB PDB    PDBbind148aa, >5W0L_1|Chains... at 100%
5w0qRCSB PDB    PDBbind148aa, >5W0Q_1|Chain... at 100%
6axqRCSB PDB    PDBbind114aa, >6AXQ_1|Chains... at 98%
6ay5RCSB PDB    PDBbind115aa, >6AY5_1|Chain... at 100%
6fqoRCSB PDB    PDBbind119aa, >6FQO_1|Chains... at 98%
6fquRCSB PDB    PDBbind119aa, >6FQU_1|Chain... at 98%
6fr0RCSB PDB    PDBbind119aa, >6FR0_1|Chains... at 98%
6frfRCSB PDB    PDBbind119aa, >6FRF_1|Chains... at 98%
6alcRCSB PDB    PDBbind114aa, >6ALC_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6ay3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCBP bromodomain
Ligand NameC3J
EC.Number E.C. 2.3.1.48
Resolution 1.39(Å)
Affinity (Kd/Ki/IC50)IC50=9.5nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 10151-10171
Ligand Properties
Formula C24H23F2N5O
Molecular Weight 435.469
Exact Mass 435.187
No. of atoms 55
No. of bonds 59
Polar Surface Area 65.95
LOGP Value 3.96      (Computed with XLOGP3)
5.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
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): Q92793  
Entrez Gene IDNCBI Entrez Gene ID: 1387  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com