9YG0

Targeting PTPN22 at non-orthosteric binding sites - a fragment approach

This is a non-PDB format compatible entry.

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)	Tyrosine-protein phosphatase non-receptor type 22	polymer	322	37886.3	4	UniProt (Q9Y2R2)	Homo sapiens (human)	Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP,Lymphoid phosphatase,LyP,PEST-domain phosphatase,PEP
2	E (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	F, I, J, O, S... (A, B, C, D)	ETHANOL	non-polymer		46.1	6	Chemie (EOH)
4	G, K, L, M, Q (A, B, C)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
5	H, N, R, V (A, B, C, D)	1-[(3S)-3-amino-2,3-dihydro-1H-indol-1-yl]-3-phenylpropan-1-one	non-polymer		266.3	4	Chemie (A1CWM)
6	P, U (C, D)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	W, X, Y, Z (A, B, C, D)	water	water		18.0	742	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 303 (UniProt: Q9Y2R2)

PDB	External Database	Details
Met -15	-	initiating methionine
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Gly 304	-	expression tag
Asn 305	-	expression tag
Ser 306	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	151545.1
Non-Polymers*	Number of molecules	18
	Total formula weight	1747.5
All*	Total formula weight	153292.6

*Water molecules are not included.