5GTY

Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26

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
C	0004672	molecular_function	protein kinase activity
C	0004713	molecular_function	protein tyrosine kinase activity
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
D	0004672	molecular_function	protein kinase activity
D	0004713	molecular_function	protein tyrosine kinase activity
D	0005524	molecular_function	ATP binding
D	0006468	biological_process	protein phosphorylation
E	0004672	molecular_function	protein kinase activity
E	0004713	molecular_function	protein tyrosine kinase activity
E	0005524	molecular_function	ATP binding
E	0006468	biological_process	protein phosphorylation
F	0004672	molecular_function	protein kinase activity
F	0004713	molecular_function	protein tyrosine kinase activity
F	0005524	molecular_function	ATP binding
F	0006468	biological_process	protein phosphorylation
G	0004672	molecular_function	protein kinase activity
G	0004713	molecular_function	protein tyrosine kinase activity
G	0005524	molecular_function	ATP binding
G	0006468	biological_process	protein phosphorylation
H	0004672	molecular_function	protein kinase activity
H	0004713	molecular_function	protein tyrosine kinase activity
H	0005524	molecular_function	ATP binding
H	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	binding site for residue 816 A 1101

Chain	Residue
A	GLY719
A	MET793
A	GLY796
A	CYS797
A	ASP800
A	ARG841
A	THR854
A	ASP855
A	LEU858
A	HOH1219
A	VAL726
A	ALA743
A	LYS745
A	ARG776
A	LEU777
A	LEU788
A	MET790
A	GLN791

---

site_id	AC2
Number of Residues	4
Details	binding site for residue EDO G 1102

Chain	Residue
B	GLU922
B	ILE926
B	GLU931
G	ASP974

---

site_id	AC3
Number of Residues	2
Details	binding site for residue EDO H 1102

Chain	Residue
H	GLU736
H	LYS737

---

site_id	AC4
Number of Residues	1
Details	binding site for residue EDO H 1103

Chain	Residue
H	MET945

---

site_id	AC5
Number of Residues	1
Details	binding site for residue EDO H 1104

Chain	Residue
H	MET945

---

site_id	AC6
Number of Residues	20
Details	binding site for Di-peptide 816 B 1101 and CYS B 797

Chain	Residue
B	GLY719
B	ALA743
B	LYS745
B	MET766
B	ARG776
B	LEU777
B	LEU788
B	MET790
B	GLN791
B	MET793
B	GLY796
B	LEU798
B	LEU799
B	ASP800
B	TYR801
B	ARG841
B	VAL843
B	THR854
B	ASP855
B	LEU858

---

site_id	AC7
Number of Residues	19
Details	binding site for Di-peptide 816 C 1101 and CYS C 797

Chain	Residue
C	GLY719
C	VAL726
C	ALA743
C	CYS775
C	ARG776
C	LEU777
C	LEU788
C	MET790
C	MET793
C	PHE795
C	GLY796
C	LEU798
C	LEU799
C	ASP800
C	TYR801
C	ARG841
C	VAL843
C	THR854
C	ASP855

---

site_id	AC8
Number of Residues	20
Details	binding site for Di-peptide 816 D 1101 and CYS D 797

Chain	Residue
D	LEU718
D	GLY719
D	VAL726
D	ALA743
D	LYS745
D	ARG776
D	LEU777
D	LEU788
D	MET790
D	GLN791
D	MET793
D	PHE795
D	GLY796
D	LEU798
D	LEU799
D	ASP800
D	TYR801
D	LEU844
D	THR854
D	ASP855

---

site_id	AC9
Number of Residues	19
Details	binding site for Di-peptide 816 E 1101 and CYS E 797

Chain	Residue
E	ASP800
E	TYR801
E	VAL843
E	THR854
E	ASP855
E	LEU718
E	GLY719
E	SER720
E	ALA743
E	LYS745
E	MET766
E	CYS775
E	LEU788
E	MET790
E	MET793
E	PHE795
E	GLY796
E	LEU798
E	LEU799

---

site_id	AD1
Number of Residues	21
Details	binding site for Di-peptide 816 F 1101 and CYS F 797

Chain	Residue
F	GLY719
F	VAL726
F	ALA743
F	LYS745
F	CYS775
F	ARG776
F	LEU777
F	LEU788
F	MET790
F	MET793
F	PHE795
F	GLY796
F	LEU798
F	LEU799
F	ASP800
F	TYR801
F	ARG841
F	THR854
F	ASP855
F	LEU858
F	HOH1231

---

site_id	AD2
Number of Residues	21
Details	binding site for Di-peptide 816 G 1101 and CYS G 797

Chain	Residue
G	LEU718
G	GLY719
G	ALA743
G	LYS745
G	ARG776
G	LEU777
G	LEU788
G	MET790
G	GLN791
G	LEU792
G	MET793
G	GLY796
G	LEU798
G	LEU799
G	ASP800
G	TYR801
G	ARG841
G	VAL843
G	THR854
G	ASP855
G	PHE856

---

site_id	AD3
Number of Residues	24
Details	binding site for Di-peptide 816 H 1101 and CYS H 797

Chain	Residue
E	ARG962
H	LEU718
H	GLY719
H	ALA743
H	LYS745
H	MET766
H	ARG776
H	LEU777
H	LEU788
H	MET790
H	GLN791
H	LEU792
H	MET793
H	GLY796
H	LEU798
H	LEU799
H	ASP800
H	TYR801
H	ARG841
H	VAL843
H	THR854
H	ASP855
H	PHE856
H	LEU858

---

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	8
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	64
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	8
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	8
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	8
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	8
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	8
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"16083266","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	8
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"PubMed","id":"19563760","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	20
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_FI11
Number of Residues	24
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_FI12
Number of Residues	16
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

---

site_id	SWS_FT_FI13
Number of Residues	1
Details	Site: {"description":"Important for interaction with PIK3C2B"}

Chain

Residue

Details

---

site_id	SWS_FT_FI14
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"PubMed","id":"19563760","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23774213","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---