9YDM

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 (A, B)	Tyrosine-protein phosphatase non-receptor type 22	polymer	321	37755.1	2	UniProt (Q9Y2R2)	Homo sapiens (human)	Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP,Lymphoid phosphatase,LyP,PEST-domain phosphatase,PEP
2	C, K (A, B)	ETHANOL	non-polymer		46.1	2	Chemie (EOH)
3	D, E, F, I, J (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
4	G (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	H, L (A, B)	N-(3-methyl-1H-pyrazol-5-yl)-3-phenylpropanamide	non-polymer		229.3	2	Chemie (A1CU3)
6	M, N (A, B)	water	water		18.0	377	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	2
	Total formula weight	75510.1
Non-Polymers*	Number of molecules	10
	Total formula weight	1107.2
All*	Total formula weight	76617.4

*Water molecules are not included.