9EEZ

STEP (PTPN5) with active-site disulfide bond and covalent ligand bound to distal C505 and C518

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 (A)	Tyrosine-protein phosphatase non-receptor type 5	polymer	305	35204.8	1	UniProt (P54829) Pfam (PF00102)	Homo sapiens (human)	Neural-specific protein-tyrosine phosphatase,Striatum-enriched protein-tyrosine phosphatase,STEP
2	B, C (A)	[4-(bromoacetyl)phenoxy]acetic acid	non-polymer		273.1	2	Chemie (A1BHT)
3	D (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	E, F (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	G (A)	water	water		18.0	159	Chemie (HOH)

Sequence modifications

A: 258 - 539 (UniProt: P54829)

PDB	External Database	Details
Met 235	-	initiating methionine
His 236	-	expression tag
His 237	-	expression tag
His 238	-	expression tag
His 239	-	expression tag
His 240	-	expression tag
His 241	-	expression tag
Ser 242	-	expression tag
Ser 243	-	expression tag
Gly 244	-	expression tag
Val 245	-	expression tag
Asp 246	-	expression tag
Leu 247	-	expression tag
Gly 248	-	expression tag
Thr 249	-	expression tag
Glu 250	-	expression tag
Asn 251	-	expression tag
Leu 252	-	expression tag
Tyr 253	-	expression tag
Phe 254	-	expression tag
Gln 255	-	expression tag
Ser 256	-	expression tag
Met 257	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	35204.8
Non-Polymers*	Number of molecules	5
	Total formula weight	816.4
All*	Total formula weight	36021.3

*Water molecules are not included.