Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5D41

EGFR kinase domain in complex with mutant selective allosteric inhibitor

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	5
Details	binding site for residue MG A 1101

Chain	Residue
A	ASN842
A	ASP855
A	ANP1102
A	HOH1212
A	HOH1304

site_id	AC2
Number of Residues	28
Details	binding site for residue ANP A 1102

Chain	Residue
A	VAL726
A	ALA743
A	LYS745
A	MET790
A	GLN791
A	MET793
A	CYS797
A	ASP837
A	ARG841
A	ASN842
A	LEU844
A	ASP855
A	MG1101
A	57N1103
A	HOH1212
A	HOH1217
A	HOH1218
A	HOH1246
A	HOH1283
A	HOH1285
A	HOH1294
A	HOH1304
A	HOH1330
A	HOH1338
A	SER720
A	GLY721
A	ALA722
A	GLY724

site_id	AC3
Number of Residues	13
Details	binding site for residue 57N A 1103

Chain	Residue
A	ALA743
A	ILE744
A	LYS745
A	ILE759
A	MET766
A	CYS775
A	LEU777
A	LEU788
A	MET790
A	ASP855
A	PHE856
A	LEU858
A	ANP1102

site_id	AC4
Number of Residues	4
Details	binding site for residue MG B 2000

Chain	Residue
B	ASN842
B	ASP855
B	ANP2001
B	HOH2192

site_id	AC5
Number of Residues	22
Details	binding site for residue ANP B 2001

Chain	Residue
B	GLY719
B	SER720
B	GLY721
B	ALA722
B	GLY724
B	VAL726
B	ALA743
B	LYS745
B	MET790
B	GLN791
B	MET793
B	CYS797
B	ASP837
B	ARG841
B	ASN842
B	ASP855
B	MG2000
B	HOH2101
B	HOH2145
B	HOH2147
B	HOH2192
B	HOH2211

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	ACT_SITE: Proton acceptor => ECO:0000255\|PROSITE-ProRule:PRU00159, ECO:0000255\|PROSITE-ProRule:PRU10028

Chain	Residue	Details
A	ASP837
B	ASP837

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:19563760, ECO:0007744\|PDB:2GS7, ECO:0007744\|PDB:3GT8, ECO:0007744\|PDB:4ZSE, ECO:0007744\|PDB:5CNN, ECO:0007744\|PDB:5CNO, ECO:0007744\|PDB:5D41

Chain	Residue	Details
A	LEU718
B	LEU718

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:17349580, ECO:0000269\|PubMed:19563760, ECO:0007744\|PDB:2EB3, ECO:0007744\|PDB:2GS7, ECO:0007744\|PDB:2ITN, ECO:0007744\|PDB:3GT8, ECO:0007744\|PDB:3VJN, ECO:0007744\|PDB:3VJO, ECO:0007744\|PDB:4RIW, ECO:0007744\|PDB:4RIY, ECO:0007744\|PDB:4ZSE, ECO:0007744\|PDB:5CNN, ECO:0007744\|PDB:5CNO, ECO:0007744\|PDB:5D41

Chain	Residue	Details
A	LYS745
B	LYS745

site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:17349580, ECO:0000269\|PubMed:19563760, ECO:0007744\|PDB:2EB3, ECO:0007744\|PDB:2GS7, ECO:0007744\|PDB:2ITN, ECO:0007744\|PDB:2ITV, ECO:0007744\|PDB:2ITX, ECO:0007744\|PDB:3GT8, ECO:0007744\|PDB:3VJN, ECO:0007744\|PDB:3VJO, ECO:0007744\|PDB:4RIW, ECO:0007744\|PDB:4RIX, ECO:0007744\|PDB:4RIY, ECO:0007744\|PDB:4ZSE, ECO:0007744\|PDB:5CNN, ECO:0007744\|PDB:5CNO, ECO:0007744\|PDB:5D41

Chain	Residue	Details
A	MET790
B	MET790

site_id	SWS_FT_FI5
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:17349580, ECO:0000269\|PubMed:19563760, ECO:0007744\|PDB:2EB3, ECO:0007744\|PDB:2GS7, ECO:0007744\|PDB:2ITN, ECO:0007744\|PDB:2ITV, ECO:0007744\|PDB:2ITX, ECO:0007744\|PDB:3GT8, ECO:0007744\|PDB:3VJN, ECO:0007744\|PDB:4RIW, ECO:0007744\|PDB:4RIX, ECO:0007744\|PDB:4RIY, ECO:0007744\|PDB:4ZSE, ECO:0007744\|PDB:5CNN, ECO:0007744\|PDB:5CNO, ECO:0007744\|PDB:5D41

Chain	Residue	Details
A	ASP855
B	ASP855

site_id	SWS_FT_FI6
Number of Residues	2
Details	SITE: Important for interaction with PIK3C2B

Chain	Residue	Details
A	TYR1016
B	TYR1016

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: Phosphothreonine; by PKD/PRKD1 => ECO:0000269\|PubMed:10523301, ECO:0000269\|PubMed:16083266, ECO:0000269\|PubMed:3138233, ECO:0007744\|PubMed:18691976, ECO:0007744\|PubMed:20068231, ECO:0007744\|PubMed:23186163, ECO:0007744\|PubMed:24275569

Chain	Residue	Details
A	SER693
B	SER693

site_id	SWS_FT_FI8
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000269\|PubMed:3138233, ECO:0007744\|PubMed:18691976

Chain	Residue	Details
A	SER695
B	SER695

site_id	SWS_FT_FI9
Number of Residues	2
Details	MOD_RES: N6-(2-hydroxyisobutyryl)lysine => ECO:0000269\|PubMed:29192674

Chain	Residue	Details
A	LYS745
B	LYS745

site_id	SWS_FT_FI10
Number of Residues	2
Details	MOD_RES: Phosphotyrosine => ECO:0000269\|PubMed:23774213

Chain	Residue	Details
A	TYR869
B	TYR869

site_id	SWS_FT_FI11
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000269\|PubMed:16083266, ECO:0007744\|PubMed:18669648, ECO:0007744\|PubMed:20068231, ECO:0007744\|PubMed:24275569

Chain	Residue	Details
A	SER991
B	SER991

site_id	SWS_FT_FI12
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:18669648

Chain	Residue	Details
A	SER995
B	SER995

site_id	SWS_FT_FI13
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269\|PubMed:19563760, ECO:0007744\|PubMed:18669648

Chain	Residue	Details
A	TYR998
B	TYR998

site_id	SWS_FT_FI14
Number of Residues	2
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269\|PubMed:19563760, ECO:0000269\|PubMed:23774213

Chain	Residue	Details
A	TYR1016
B	TYR1016

site_id	SWS_FT_FI15
Number of Residues	8
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269\|PubMed:16543144, ECO:0000269\|PubMed:33996800

Chain	Residue	Details
A	LYS716
A	LYS737
A	LYS754
A	LYS867
B	LYS716
B	LYS737
B	LYS754
B	LYS867

site_id	SWS_FT_FI16
Number of Residues	6
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269\|PubMed:16543144

Chain	Residue	Details
A	LYS929
A	LYS970
B	LYS929
B	LYS970

site_id	SWS_FT_FI17
Number of Residues	4
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269\|PubMed:33996800

Chain	Residue	Details
A	LYS757
A	LYS960
B	LYS757
B	LYS960

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)