6TFZ

Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004713	molecular_function	protein tyrosine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
B	0004672	molecular_function	protein kinase activity
B	0004713	molecular_function	protein tyrosine kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	binding site for residue N7B A 1101

Chain	Residue
A	LEU718
A	MET790
A	GLN791
A	MET793
A	CYS797
A	ASP800
A	ARG841
A	LEU844
A	THR854
A	ASP855
A	LEU858
A	GLY719
A	HOH1208
A	HOH1252
A	HOH1292
A	HOH1294
A	SER720
A	VAL726
A	ALA743
A	LYS745
A	MET766
A	CYS775
A	LEU788

---

site_id	AC2
Number of Residues	10
Details	binding site for residue SO4 A 1102

Chain	Residue
A	LYS846
A	HIS850
A	LYS852
A	HOH1209
A	HOH1219
A	HOH1258
B	LYS846
B	HIS850
B	LYS852
B	HOH1259

---

site_id	AC3
Number of Residues	7
Details	binding site for residue SO4 A 1103

Chain	Residue
A	LYS846
A	THR847
A	HIS850
A	HOH1219
B	ARG776
B	GLN791
B	HOH1238

---

site_id	AC4
Number of Residues	5
Details	binding site for residue SO4 A 1104

Chain	Residue
A	GLY810
A	SER811
A	GLN976
A	HOH1221
A	HOH1234

---

site_id	AC5
Number of Residues	6
Details	binding site for residue SO4 A 1105

Chain	Residue
A	ASP800
A	HOH1208
B	ILE715
B	LYS716
B	VAL717
B	TYR727

---

site_id	AC6
Number of Residues	7
Details	binding site for residue SO4 B 1102

Chain	Residue
A	ARG776
A	GLN791
A	HOH1248
B	LYS846
B	THR847
B	HIS850
B	HOH1206

---

site_id	AC7
Number of Residues	7
Details	binding site for residue SO4 B 1103

Chain	Residue
B	GLY721
B	ALA722
B	PHE723
B	GLY724
B	LYS745
B	ARG841
B	ASP855

---

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 B 1104

Chain	Residue
B	ARG803
B	LYS913
B	HOH1202

---

site_id	AC9
Number of Residues	4
Details	binding site for residue EDO B 1105

Chain	Residue
A	HIS773
A	GLN849
A	HIS850
B	ASP770

---

site_id	AD1
Number of Residues	25
Details	binding site for Di-peptide N7B B 1101 and CYS B 797

Chain	Residue
B	GLY719
B	SER720
B	VAL726
B	ALA743
B	LYS745
B	MET766
B	CYS775
B	MET790
B	GLN791
B	MET793
B	GLY796
B	LEU798
B	LEU799
B	ASP800
B	TYR801
B	ARG841
B	VAL843
B	LEU844
B	THR854
B	ASP855
B	PHE856
B	ALA859
B	HOH1211
B	HOH1268
B	HOH1276

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	28
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGSGAFGTVYkGlwipegekvkip......VAIK

Chain	Residue	Details
A	LEU718-LYS745

---

site_id	PS00109
Number of Residues	13
Details	PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. LVHrDLAARNVLV

Chain	Residue	Details
A	LEU833-VAL845

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10028","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19563760","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2GS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GT8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ZSE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5CNN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5CNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5D41","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17349580","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19563760","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2EB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ITN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GT8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3VJN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3VJO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RIW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RIY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ZSE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5CNN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5CNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5D41","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17349580","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19563760","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2EB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ITN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ITV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ITX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GT8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3VJN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3VJO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RIW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RIX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RIY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ZSE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5CNN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5CNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5D41","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17349580","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19563760","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2EB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2GS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ITN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ITV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2ITX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GT8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3VJN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RIW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RIX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RIY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ZSE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5CNN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5CNO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5D41","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"N6-(2-hydroxyisobutyryl)lysine","evidences":[{"source":"PubMed","id":"29192674","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	5
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"16543144","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33996800","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	6
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"16543144","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"33996800","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---