6TG0

Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a

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	27
Details	binding site for residue N78 A 1101

Chain	Residue
A	LEU718
A	LEU777
A	LEU788
A	MET790
A	GLN791
A	MET793
A	CYS797
A	ASP800
A	ARG841
A	LEU844
A	THR854
A	GLY719
A	ASP855
A	PHE856
A	EDO1102
A	HOH1248
A	HOH1274
A	HOH1332
A	HOH1333
A	HOH1348
A	SER720
A	VAL726
A	ALA743
A	LYS745
A	MET766
A	CYS775
A	ARG776

---

site_id	AC2
Number of Residues	6
Details	binding site for residue EDO A 1102

Chain	Residue
A	LEU718
A	ASP800
A	N781101
A	HOH1244
A	HOH1274
B	TYR727

---

site_id	AC3
Number of Residues	5
Details	binding site for residue EDO A 1103

Chain	Residue
A	THR940
A	ILE941
A	ASP942
A	ARG977
A	TYR978

---

site_id	AC4
Number of Residues	8
Details	binding site for residue SO4 A 1104

Chain	Residue
A	LYS846
A	THR847
A	HIS850
A	HOH1208
B	ARG776
B	LEU778
B	GLN791
B	HOH1241

---

site_id	AC5
Number of Residues	8
Details	binding site for residue SO4 A 1105

Chain	Residue
A	LYS846
A	HIS850
A	LYS852
A	HOH1208
A	HOH1209
B	LYS846
B	HIS850
B	LYS852

---

site_id	AC6
Number of Residues	6
Details	binding site for residue EDO B 1101

Chain	Residue
B	ASP837
B	ALA839
B	ARG841
B	PRO877
B	TRP880
B	HOH1296

---

site_id	AC7
Number of Residues	7
Details	binding site for residue EDO B 1102

Chain	Residue
A	VAL717
A	LEU718
B	GLY724
B	THR725
B	TYR727
B	GLU746
B	ARG748

---

site_id	AC8
Number of Residues	10
Details	binding site for residue SO4 B 1103

Chain	Residue
B	GLY721
B	ALA722
B	PHE723
B	GLY724
B	LYS745
B	ARG841
B	ASP855
B	LYS860
B	HOH1215
B	HOH1320

---

site_id	AC9
Number of Residues	8
Details	binding site for residue SO4 B 1104

Chain	Residue
A	ARG776
A	LEU778
A	GLN791
A	HOH1260
B	LYS846
B	THR847
B	HIS850
B	HOH1211

---

site_id	AD1
Number of Residues	28
Details	binding site for Di-peptide N78 B 1105 and CYS B 797

Chain	Residue
B	LEU799
B	ASP800
B	TYR801
B	ARG841
B	VAL843
B	LEU844
B	THR854
B	ASP855
B	PHE856
B	ALA859
B	HOH1239
B	HOH1293
B	HOH1304
B	HOH1314
B	GLY719
B	SER720
B	VAL726
B	ALA743
B	MET766
B	CYS775
B	ARG776
B	LEU777
B	LEU788
B	MET790
B	GLN791
B	MET793
B	GLY796
B	LEU798

---

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	6
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

---