4V0IA

Water network determines selectivity for a series of pyrimidone indoline amide pi3kbeta inhibitors over pi3k-delta
Total Genus 248
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The genus trace: a function that shows values of genus (vertical axis) for subchains spanned between the first residue, and all other residues (shown on horizontal axis). The number of the latter residue and the genus of a given subchain are shown interactively.

Total Genus
248
sequence length
917
structure length
759
Chain Sequence
KKLINSQISLLIGKGLHEFDSLRDPEVNDFRTKMRQFCEEAAAHRQQLGWVEWLQYSFPLQLEPVSNRALLVNVKFEGSEESFTFQVSTKDMPLALMACALRKKATVQPEEYALQVNGRHEYLYGNYPLCHFQYICSCLHSGLTPHLTMVHSSSILAMRDEQSNQPFSIELIVQAGLFHGNEMLCKTDISVCDLPRMARLCFALYADCPIAWANLMLFDYKDQLKTGERCLYMWPSLLNPAGTVRGNPNTESAAALVIYLPEVAPVYFPALEKILELEHEKDLVWKMRHEVQEHFPEALARLLLVTKWNKHEDVAQMLYLLCSWPELPVLSALELLDFSFPDCYVGSFAIKSLRKLTDDELFQYLLQLVQVLKYESYLDCELTKFLLGRALANRKIGHFLFWHLRSEMHVPSVALRFGLIMEAYCRGSTHHMKVLMKQGEALSKLKALNDFVKVSSQKTTKPQTKEMMHMCMRQETYMEALSHLQSPLDPSTLLEEVCVEQCTFMDSKMKPLWIMYSSEEAGSAGNVGIIFKNGDDLRQDMLTLQMIQLMDVLWKQEGLDLRMTPYGCLPTGDRTGLIEVVLHSDTIANIQLTAAFNKDALLNWLKSKNPGEALDRAIEEFTLSCAGYCVATYVLGIGDRHSDNIMIRESGQLFHIDFGHFLGPFILTYDFVHVIQQGKTNNSEKFERFRGYCERAYTILRRHGLLFLHLFALMRAAGLPELSCSKDIQYLKDSLALGKTEEEALKHFRVKFNEALRES
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The genus matrix. At position (x,y) a genus value for a subchain spanned between x’th and y’th residue is shown. Values of the genus are represented by color, according to the scale given on the right.

Structure visualization

After clicking on a point (x,y) in the genus matrix above, a subchain from x to y is shown in color.

publication title Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
pubmed doi rcsb
molecule tags Transferase
source organism Mus musculus
molecule keywords PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUB
total genus 248
structure length 759
sequence length 917
chains with identical sequence B
ec nomenclature ec 2.7.1.153: Phosphatidylinositol-4,5-bisphosphate 3-kinase.
pdb deposition date 2014-09-16

pfam database annotations

chain Pfam Accession Code Pfam Family Identifier Pfam Description
A PF00454 PI3_PI4_kinase Phosphatidylinositol 3- and 4-kinase
A PF00613 PI3Ka Phosphoinositide 3-kinase family, accessory domain (PIK domain)
A PF00792 PI3K_C2 Phosphoinositide 3-kinase C2
A PF00794 PI3K_rbd PI3-kinase family, ras-binding domain
Image from the rcsb pdb (www.rcsb.org)
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similar chains in the Genus database (?% sequence similarity)
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similar chains in the pdb database (?% sequence similarity)

 
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