eF-site ID 5y25-A
PDB Code 5y25
Chain A

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Title EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062
Classification TRANSFERASE/TRANSFERASE INHIBITOR
Compound Epidermal growth factor receptor
Source (EGFR_HUMAN)
Sequence A:  HAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGE
KVKIPVAIKELTSPKANKEILDEAYVMASVDNPHVCRLLG
ICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCV
QIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRA
VPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPY
DGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDA
DSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDS
NFDDVVDADEYL
Description


Functional site

1) chain A
residue 718
type
sequence L
description binding site for residue 8LU A 1100
source : AC1

2) chain A
residue 743
type
sequence A
description binding site for residue 8LU A 1100
source : AC1

3) chain A
residue 745
type
sequence K
description binding site for residue 8LU A 1100
source : AC1

4) chain A
residue 788
type
sequence L
description binding site for residue 8LU A 1100
source : AC1

5) chain A
residue 790
type
sequence M
description binding site for residue 8LU A 1100
source : AC1

6) chain A
residue 791
type
sequence Q
description binding site for residue 8LU A 1100
source : AC1

7) chain A
residue 792
type
sequence L
description binding site for residue 8LU A 1100
source : AC1

8) chain A
residue 793
type
sequence M
description binding site for residue 8LU A 1100
source : AC1

9) chain A
residue 794
type
sequence P
description binding site for residue 8LU A 1100
source : AC1

10) chain A
residue 795
type
sequence F
description binding site for residue 8LU A 1100
source : AC1

11) chain A
residue 796
type
sequence G
description binding site for residue 8LU A 1100
source : AC1

12) chain A
residue 797
type
sequence C
description binding site for residue 8LU A 1100
source : AC1

13) chain A
residue 800
type
sequence D
description binding site for residue 8LU A 1100
source : AC1

14) chain A
residue 841
type
sequence R
description binding site for residue 8LU A 1100
source : AC1

15) chain A
residue 844
type
sequence L
description binding site for residue 8LU A 1100
source : AC1

16) chain A
residue 837
type ACT_SITE
sequence D
description Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
source Swiss-Prot : SWS_FT_FI1

17) chain A
residue 745
type BINDING
sequence K
description 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
source Swiss-Prot : SWS_FT_FI3

18) chain A
residue 716
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144, ECO:0000269|PubMed:33996800
source Swiss-Prot : SWS_FT_FI13

19) chain A
residue 737
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144, ECO:0000269|PubMed:33996800
source Swiss-Prot : SWS_FT_FI13

20) chain A
residue 754
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144, ECO:0000269|PubMed:33996800
source Swiss-Prot : SWS_FT_FI13

21) chain A
residue 718-745
type prosite
sequence LGSGAFGTVYKGLWIPEGEKVKIPVAIK
description PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGSGAFGTVYkGlwipegekvkip......VAIK
source prosite : PS00107

22) chain A
residue 833-845
type prosite
sequence LVHRDLAARNVLV
description PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. LVHrDLAARNVLV
source prosite : PS00109

23) chain A
residue 929
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144
source Swiss-Prot : SWS_FT_FI14

24) chain A
residue 970
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:16543144
source Swiss-Prot : SWS_FT_FI14

25) chain A
residue 757
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:33996800
source Swiss-Prot : SWS_FT_FI15

26) chain A
residue 960
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:33996800
source Swiss-Prot : SWS_FT_FI15

27) chain A
residue 995
type MOD_RES
sequence S
description Phosphoserine => ECO:0007744|PubMed:18669648
source Swiss-Prot : SWS_FT_FI10

28) chain A
residue 1016
type MOD_RES
sequence Y
description Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:19563760, ECO:0000269|PubMed:23774213
source Swiss-Prot : SWS_FT_FI12

29) chain A
residue 745
type MOD_RES
sequence K
description N6-(2-hydroxyisobutyryl)lysine => ECO:0000269|PubMed:29192674
source Swiss-Prot : SWS_FT_FI7

30) chain A
residue 991
type MOD_RES
sequence S
description Phosphoserine => ECO:0000269|PubMed:16083266, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:24275569
source Swiss-Prot : SWS_FT_FI9

31) chain A
residue 1016
type SITE
sequence Y
description Important for interaction with PIK3C2B
source Swiss-Prot : SWS_FT_FI6

32) chain A
residue 718
type BINDING
sequence L
description 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
source Swiss-Prot : SWS_FT_FI2

33) chain A
residue 790
type BINDING
sequence M
description 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
source Swiss-Prot : SWS_FT_FI4

34) chain A
residue 855
type BINDING
sequence D
description 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
source Swiss-Prot : SWS_FT_FI5


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