6Z4B

Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045

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	14
Details	binding site for residue Q6K A 1101

Chain	Residue
A	LEU718
A	CYS797
A	ASP800
A	LEU844
A	ASP855
A	9LL1102
A	GLY719
A	VAL726
A	ALA743
A	MET790
A	LEU792
A	MET793
A	PRO794
A	GLY796

---

site_id	AC2
Number of Residues	9
Details	binding site for residue 9LL A 1102

Chain	Residue
A	ALA743
A	LYS745
A	CYS775
A	ARG776
A	LEU777
A	LEU788
A	ASP855
A	PHE856
A	Q6K1101

---

site_id	AC3
Number of Residues	3
Details	binding site for residue SO4 A 1103

Chain	Residue
A	ARG705
A	HOH1213
B	TYR813

---

site_id	AC4
Number of Residues	6
Details	binding site for residue SO4 A 1104

Chain	Residue
A	LYS846
A	HIS850
A	LYS852
A	HOH1201
B	GLN791
B	LYS852

---

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

Chain	Residue
A	LYS846
A	THR847
A	HIS850
A	HOH1201
B	ARG776
B	LEU778

---

site_id	AC6
Number of Residues	2
Details	binding site for residue SO4 A 1106

Chain	Residue
A	ARG803
A	LYS913

---

site_id	AC7
Number of Residues	2
Details	binding site for residue SO4 A 1107

Chain	Residue
A	PHE712
A	LYS714

---

site_id	AC8
Number of Residues	5
Details	binding site for residue SO4 A 1108

Chain	Residue
A	GLN935
A	THR940
A	ILE941
B	LYS970
B	TYR978

---

site_id	AC9
Number of Residues	13
Details	binding site for residue 9LL B 1102

Chain	Residue
B	VAL726
B	ALA743
B	LYS745
B	ILE759
B	GLU762
B	MET766
B	CYS775
B	ARG776
B	LEU777
B	LEU788
B	ASP855
B	PHE856
B	Q6K1101

---

site_id	AD1
Number of Residues	3
Details	binding site for residue SO4 B 1103

Chain	Residue
B	ASP956
B	ARG958
B	GLU963

---

site_id	AD2
Number of Residues	3
Details	binding site for residue SO4 B 1104

Chain	Residue
A	ARG776
B	THR847
B	HIS850

---

site_id	AD3
Number of Residues	2
Details	binding site for residue SO4 B 1105

Chain	Residue
B	PHE712
B	LYS714

---

site_id	AD4
Number of Residues	1
Details	binding site for residue SO4 B 1106

Chain	Residue
B	ARG803

---

site_id	AD5
Number of Residues	17
Details	binding site for Di-peptide Q6K B 1101 and CYS B 797

Chain	Residue
B	LEU718
B	VAL726
B	ALA743
B	MET790
B	LEU792
B	MET793
B	PRO794
B	GLY796
B	LEU798
B	LEU799
B	ASP800
B	TYR801
B	ARG841
B	VAL843
B	LEU844
B	ASP855
B	9LL1102

---

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	8
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

---