eF-site ID 6hv0-A
PDB Code 6hv0
Chain A

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Title IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33
Classification SIGNALING PROTEIN
Compound Serine/threonine-protein kinase/endoribonuclease IRE1
Source (ERN1_HUMAN)
Sequence A:  SVVIVGKISFCPKDVLGHGAEGTIVYRGMFDNRDVAVKRI
LPECSDEHPNVIRYFCTEKDRQFQYIAIELCAATLQEYVE
QKDFGLEPITLLQQTTSGLAHLHSLNIVHRDLKPHNILIS
MPNAHGKIKAMISDFGLCKKLAVGRHSFSRRSGVPGTEGW
IAPEMNPTYTVDIFSAGCVFYYVISEGSHPFGKSLQRQAN
ILLGACSLDCLHPEKHEDVIARELIEKMIAMDPQKRPSAK
HVLKHPFFWSLEKQLQFFQDVSDRIEKESLDGPIVKQLER
GGRAVVKMDWRENITVPLQTDLRRTYKGGSVRDLLRAMRN
KKHHYRELPAEVRETLGSLPDDFVCYFTSRFPHLLAHTYR
AMELCSHERLFQPYYFH
Description


Functional site

1) chain A
residue 577
type
sequence L
description binding site for residue GUK A 1001
source : AC1

2) chain A
residue 586
type
sequence V
description binding site for residue GUK A 1001
source : AC1

3) chain A
residue 588
type
sequence R
description binding site for residue GUK A 1001
source : AC1

4) chain A
residue 599
type
sequence K
description binding site for residue GUK A 1001
source : AC1

5) chain A
residue 626
type
sequence I
description binding site for residue GUK A 1001
source : AC1

6) chain A
residue 628
type
sequence Y
description binding site for residue GUK A 1001
source : AC1

7) chain A
residue 642
type
sequence I
description binding site for residue GUK A 1001
source : AC1

8) chain A
residue 643
type
sequence E
description binding site for residue GUK A 1001
source : AC1

9) chain A
residue 644
type
sequence L
description binding site for residue GUK A 1001
source : AC1

10) chain A
residue 645
type
sequence C
description binding site for residue GUK A 1001
source : AC1

11) chain A
residue 646
type
sequence A
description binding site for residue GUK A 1001
source : AC1

12) chain A
residue 712
type
sequence F
description binding site for residue GUK A 1001
source : AC1

13) chain A
residue 714
type
sequence L
description binding site for residue GUK A 1001
source : AC1

14) chain A
residue 723
type
sequence H
description binding site for residue GUK A 1001
source : AC1

15) chain A
residue 684-696
type prosite
sequence IVHRDLKPHNILI
description PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvHrDLKphNILI
source prosite : PS00108

16) chain A
residue 688
type ACT_SITE
sequence D
description Proton acceptor => ECO:0000250|UniProtKB:P32361, ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
source Swiss-Prot : SWS_FT_FI1

17) chain A
residue 577
type BINDING
sequence L
description BINDING => ECO:0000250|UniProtKB:P32361, ECO:0000255|PROSITE-ProRule:PRU00159
source Swiss-Prot : SWS_FT_FI2

18) chain A
residue 599
type BINDING
sequence K
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000269|PubMed:21317875, ECO:0000269|PubMed:9637683, ECO:0007744|PDB:3P23
source Swiss-Prot : SWS_FT_FI3

19) chain A
residue 643
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:21317875, ECO:0007744|PDB:3P23
source Swiss-Prot : SWS_FT_FI4

20) chain A
residue 690
type BINDING
sequence K
description BINDING => ECO:0000269|PubMed:21317875, ECO:0007744|PDB:3P23
source Swiss-Prot : SWS_FT_FI4

21) chain A
residue 711
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:21317875, ECO:0007744|PDB:3P23
source Swiss-Prot : SWS_FT_FI4

22) chain A
residue 892
type SITE
sequence Y
description Interacts with hydroxy-aryl-aldehyde inhibitors => ECO:0000250|UniProtKB:Q9EQY0
source Swiss-Prot : SWS_FT_FI5

23) chain A
residue 724
type MOD_RES
sequence S
description Phosphoserine => ECO:0000269|PubMed:30118681
source Swiss-Prot : SWS_FT_FI6

24) chain A
residue 729
type MOD_RES
sequence S
description Phosphoserine => ECO:0000269|PubMed:30118681
source Swiss-Prot : SWS_FT_FI6


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