4X3J

Selection of fragments for kinase inhibitor design: decoration is key

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue 3WR A 1201

Chain	Residue
A	ALA853
A	LEU971
A	ILE980
A	ALA981
A	ASP982
A	PHE983
A	GLU872
A	VAL875
A	ILE902
A	GLU903
A	TYR904
A	ALA905
A	PHE960
A	HIS962

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Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	26
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGEGNFGQVLkArikkdglrmd........AAIK

Chain	Residue	Details
A	ILE830-LYS855

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"11080633","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	1
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"PubMed","id":"14665640","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27270174","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"PubMed","id":"11513602","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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