2VX3

Crystal structure of the human dual specificity tyrosine- phosphorylation-regulated kinase 1A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A	polymer	382	44553.2	4	UniProt (Q13627) Pfam (PF00069)	HOMO SAPIENS (HUMAN)	PROTEIN KINASE MINIBRAIN HOMOLOG, MNBH, HMNB, HP86, DUAL SPECIFICITY YAK1-RELATED KINASE
2	AA, E, K, T (D, A, B, C)	N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide	non-polymer		447.9	4	Chemie (D15)
3	BA, EA, F, FA, L... (D, A, B, C)	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
4	CA, G, H, I, M... (D, A, B, C)	HEXAETHYLENE GLYCOL	non-polymer		282.3	8	Chemie (P6G)
5	DA, J, P, Q, R... (D, A, B, C)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
6	GA, HA, IA, JA (A, B, C, D)	water	water		18.0	205	Chemie (HOH)

Sequence modifications

A, B, C, D: 127 - 485 (UniProt: Q13627)

PDB	External Database	Details
Met 104	-	expression tag
His 105	-	expression tag
His 106	-	expression tag
His 107	-	expression tag
His 108	-	expression tag
His 109	-	expression tag
His 110	-	expression tag
Ser 111	-	expression tag
Ser 112	-	expression tag
Gly 113	-	expression tag
Val 114	-	expression tag
Asp 115	-	expression tag
Leu 116	-	expression tag
Gly 117	-	expression tag
Thr 118	-	expression tag
Glu 119	-	expression tag
Asn 120	-	expression tag
Leu 121	-	expression tag
Tyr 122	-	expression tag
Phe 123	-	expression tag
Gln 124	-	expression tag
Ser 125	-	expression tag
Met 126	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	178212.8
Non-Polymers*	Number of molecules	28
	Total formula weight	5102.4
All*	Total formula weight	183315.2

*Water molecules are not included.