eF-site ID 6qmj-A
PDB Code 6qmj
Chain A

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Title Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
Classification PROTEIN BINDING
Compound Kelch-like ECH-associated protein 1
Source (KEAP1_MOUSE)
Sequence A:  GRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSG
LAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWS
PCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYE
PERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRL
NSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGG
YDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQG
KIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGV
GVAVTMEPC
Description (1)  Kelch-like ECH-associated protein 1


Functional site

1) chain A
residue 435
type
sequence I
description binding site for residue SO4 A 701
source : AC1

2) chain A
residue 437
type
sequence H
description binding site for residue SO4 A 701
source : AC1

3) chain A
residue 438
type
sequence S
description binding site for residue SO4 A 701
source : AC1

4) chain A
residue 439
type
sequence S
description binding site for residue SO4 A 701
source : AC1

5) chain A
residue 494
type
sequence R
description binding site for residue SO4 A 701
source : AC1

6) chain A
residue 414
type
sequence N
description binding site for residue CL A 702
source : AC2

7) chain A
residue 334
type
sequence Y
description binding site for residue J6K A 703
source : AC3

8) chain A
residue 363
type
sequence S
description binding site for residue J6K A 703
source : AC3

9) chain A
residue 364
type
sequence G
description binding site for residue J6K A 703
source : AC3

10) chain A
residue 382
type
sequence N
description binding site for residue J6K A 703
source : AC3

11) chain A
residue 415
type
sequence R
description binding site for residue J6K A 703
source : AC3

12) chain A
residue 478
type
sequence F
description binding site for residue J6K A 703
source : AC3

13) chain A
residue 483
type
sequence R
description binding site for residue J6K A 703
source : AC3

14) chain A
residue 508
type
sequence S
description binding site for residue J6K A 703
source : AC3

15) chain A
residue 509
type
sequence G
description binding site for residue J6K A 703
source : AC3

16) chain A
residue 525
type
sequence Y
description binding site for residue J6K A 703
source : AC3

17) chain A
residue 530
type
sequence Q
description binding site for residue J6K A 703
source : AC3

18) chain A
residue 555
type
sequence S
description binding site for residue J6K A 703
source : AC3

19) chain A
residue 556
type
sequence A
description binding site for residue J6K A 703
source : AC3

20) chain A
residue 572
type
sequence Y
description binding site for residue J6K A 703
source : AC3

21) chain A
residue 602
type
sequence S
description binding site for residue J6K A 703
source : AC3

22) chain A
residue 603
type
sequence G
description binding site for residue J6K A 703
source : AC3

23) chain A
residue 434
type SITE
sequence C
description Sensor for electrophilic agents => ECO:0000269|PubMed:20498371
source Swiss-Prot : SWS_FT_FI1

24) chain A
residue 434
type MOD_RES
sequence C
description S-cGMP-cysteine => ECO:0000269|PubMed:20498371
source Swiss-Prot : SWS_FT_FI2

25) chain A
residue 613
type MOD_RES
sequence C
description S-(2-succinyl)cysteine => ECO:0000269|PubMed:22014577
source Swiss-Prot : SWS_FT_FI3


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