CBE Database Visualizer

Select Ligand, Chain or interface (right frame) to visualize contacts of 3kfa

(Residues within 4 Angstroms of the ligand are orange)


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Entities Contact Visualizer for 3kfa

Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
(X-RAY DIFFRACTION)



Contacts (< 4A) Between Entities (2 Chain(s) & 2 Ligand(s)) :

All Entities CHAIN_A_1 CHAIN_B_2
B91_A_3 B91_A_3/CHAIN_A_1 No contact
B91_B_4 No contact B91_B_4/CHAIN_B_2



Entities Features:

TypeWeightLengthInfo
B91_A_3 non-polymer 558.565 . 3-{(E)-2-[6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL]ETHENYL}-4-METHYL-N-[3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
B91_B_4 non-polymer 558.565 . 3-{(E)-2-[6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL]ETHENYL}-4-METHYL-N-[3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
CHAIN_A_1 polymer 33242.195 284 Tyrosine-protein kinase transforming protein Abl
CHAIN_B_2 polymer 33242.195 284 Tyrosine-protein kinase transforming protein Abl


Additional CBE information:

The CBE (Contacts Between Entities) database is built from the mmCIF database.
All the molecules (entities) were extracted of the structure.
For each main chain (protein chain), amino acid in contact with ligand(s) have been obtained.
The CBE is accessible from the PDB entries.
The ligand code is :XXX_Y_Z were:
XXX = molecule short name
Y = Chain in pdb file
Z = Entity Number

[3kfa.cbe]
[3kfa.fasta)]
[3kfa.pdb)]