7ZH8

DYRK1a in Complex with a Bromo-Triazolo-Pyridine

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	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	polymer	382	44553.2	4	UniProt (Q13627) Pfam (PF00069) In PDB	Homo sapiens (human)	Dual specificity YAK1-related kinase,HP86,Protein kinase minibrain homolog,hMNB
2	A, C, B, D	6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine	non-polymer		199.0	8	Chemie (IWU)
3	A, C	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
4	A, C, B, D	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	6	Chemie (PEG)
5	A, C, D	TRIETHYLENE GLYCOL	non-polymer		150.2	4	Chemie (PGE)
6	B, A, C	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
7	D, B, A, C	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	4	Chemie (EPE)
8	B, A	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
9	D, B, A, C	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
10	B, A, C	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
11		water	water		18.0	519	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 104	-	initiating methionine
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	52
	Total formula weight	6810.5
All*	Total formula weight	185023.3

*Water molecules are not included.