3FI2

Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Mitogen-activated protein kinase 10	polymer	353	40765.3	1	UniProt (P53779) Pfam (PF00069) In PDB	Homo sapiens (human)	Stress-activated protein kinase JNK3, c-Jun N-terminal kinase 3, MAP kinase p49 3F12
2	A	3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide	non-polymer		487.5	1	Chemie (JK1)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4		water	water		18.0	155	Chemie (HOH)

Sequence modifications

A: 39 - 402 (UniProt: P53779)

PDB	External Database	Details
-	Asp 364	SEE REMARK 999
-	Pro 365	SEE REMARK 999
-	Ala 366	SEE REMARK 999
-	Glu 367	SEE REMARK 999
-	Val 368	SEE REMARK 999
-	Glu 369	SEE REMARK 999
-	Ala 370	SEE REMARK 999
-	Pro 371	SEE REMARK 999
-	Pro 372	SEE REMARK 999
-	Pro 373	SEE REMARK 999
-	Gln 374	SEE REMARK 999
Unk 500	Ile 375	SEE REMARK 999
Unk 501	Tyr 376	SEE REMARK 999
Unk 502	Asp 377	SEE REMARK 999
Unk 503	Lys 378	SEE REMARK 999
Unk 504	Gln 379	SEE REMARK 999
Unk 505	Leu 380	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40765.3
Non-Polymers*	Number of molecules	2
	Total formula weight	549.6
All*	Total formula weight	41314.9

*Water molecules are not included.