2G01

Pyrazoloquinolones as Novel, Selective JNK1 inhibitors

エンティティ

Entity ID	鎖名	説明	種類	鎖長	化学式量	分子数	データベース名(アクセス番号)	由来する生物種	エンティティの一般名
1	A, B	Mitogen-activated protein kinase 8	polymer	370	42919.6	2	UniProt (P45983) Pfam (PF00069) In PDB	Homo sapiens (human)	Stress-activated protein kinase JNK1, c-Jun N-terminal kinase 1, JNK-46
2	F, G	C-jun-amino-terminal kinase-interacting protein 1	polymer	11	1345.6	2	UniProt (Q9UQF2) In PDB		JNK-interacting protein 1, JIP-1, JNK MAP kinase scaffold protein 1, Islet-brain-1, IB-1, Mitogen-activated protein kinase 8-interacting protein 1
3	A, B	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	A, B	6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE	non-polymer		263.7	2	Chemie (73Q)

配列変更

A, B: 1 - 364 (UniProt: P45983)

PDB	外部データベース	詳細
Glu 183	Thr 183	engineered mutation
Glu 185	Tyr 185	engineered mutation
His 365	-	expression tag
His 366	-	expression tag
His 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag

非対称単位の内容

タンパク質・ 核酸鎖	鎖の数	4
	化学式量合計	88530.3
タンパク質・ 核酸・ 糖鎖以外*	分子数	6
	化学式量合計	911.6
全て*	化学式量合計	89442.0

*水分子は含んでいません