eF-site ID 5p9k-A
PDB Code 5p9k
Chain A

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Title CRYSTAL STRUCTURE OF BTK with CNX 774
Classification TRANSFERASE
Compound Tyrosine-protein kinase BTK
Source Homo sapiens (Human) (BTK_HUMAN)
Sequence A:  GLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVA
IKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQR
PIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEA
MEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLD
DEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMW
EIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYT
IMYSCWHEKADERPTFKILLSNILDVMDEES
Description (1)  Tyrosine-protein kinase BTK (E.C.2.7.10.2)


Functional site

1) chain A
residue 408
type
ligand
sequence L
description binding site for residue 7G8 A 701
source : AC1

2) chain A
residue 428
type
ligand
sequence A
description binding site for residue 7G8 A 701
source : AC1

3) chain A
residue 430
type
ligand
sequence K
description binding site for residue 7G8 A 701
source : AC1

4) chain A
residue 474
type
ligand
sequence T
description binding site for residue 7G8 A 701
source : AC1

5) chain A
residue 475
type
ligand
sequence E
description binding site for residue 7G8 A 701
source : AC1

6) chain A
residue 477
type
ligand
sequence M
description binding site for residue 7G8 A 701
source : AC1

7) chain A
residue 478
type
ligand
sequence A
description binding site for residue 7G8 A 701
source : AC1

8) chain A
residue 480
type
ligand
sequence G
description binding site for residue 7G8 A 701
source : AC1

9) chain A
residue 481
type
ligand
sequence C
description binding site for residue 7G8 A 701
source : AC1

10) chain A
residue 484
type
ligand
sequence N
description binding site for residue 7G8 A 701
source : AC1

11) chain A
residue 525
type
ligand
sequence R
description binding site for residue 7G8 A 701
source : AC1

12) chain A
residue 528
type
ligand
sequence L
description binding site for residue 7G8 A 701
source : AC1

13) chain A
residue 407-409
type binding
ligand 7G8: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
sequence ELG
description 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide binding site
source pdb_hetatom : 7G8_5p9k_A_701

14) chain A
residue 416
type binding
ligand 7G8: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
sequence V
description 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide binding site
source pdb_hetatom : 7G8_5p9k_A_701

15) chain A
residue 428
type binding
ligand 7G8: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
sequence A
description 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide binding site
source pdb_hetatom : 7G8_5p9k_A_701

16) chain A
residue 430
type binding
ligand 7G8: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
sequence K
description 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide binding site
source pdb_hetatom : 7G8_5p9k_A_701

17) chain A
residue 474-481
type binding
ligand 7G8: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
sequence TEYMANGC
description 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide binding site
source pdb_hetatom : 7G8_5p9k_A_701

18) chain A
residue 483-484
type binding
ligand 7G8: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
sequence LN
description 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide binding site
source pdb_hetatom : 7G8_5p9k_A_701

19) chain A
residue 525
type binding
ligand 7G8: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
sequence R
description 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide binding site
source pdb_hetatom : 7G8_5p9k_A_701

20) chain A
residue 528
type binding
ligand 7G8: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
sequence L
description 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide binding site
source pdb_hetatom : 7G8_5p9k_A_701

21) chain A
residue 538
type binding
ligand 7G8: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
sequence S
description 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide binding site
source pdb_hetatom : 7G8_5p9k_A_701


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