2A8H

Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	ADAM 17	polymer	271	30710.3	2	UniProt (P78536) Pfam (PF13574) In PDB	Homo sapiens (human)	A disintegrin and metalloproteinase domain 17, TNF-alpha converting enzyme, TNF-alpha convertase, Snake venom-like protease, CD156b antigen
2	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE	non-polymer		413.5	2	Chemie (4NH)
4		water	water		18.0	147	Chemie (HOH)

Sequence modifications

A, B: 215 - 477 (UniProt: P78536)

PDB	External Database	Details
Ala 266	Ser 266	engineered mutation
Gln 452	Asn 452	engineered mutation
Gly 478	-	expression tag
Ser 479	-	expression tag
His 480	-	expression tag
His 481	-	expression tag
His 482	-	expression tag
His 483	-	expression tag
His 484	-	expression tag
His 485	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61420.7
Non-Polymers*	Number of molecules	4
	Total formula weight	957.8
All*	Total formula weight	62378.5

*Water molecules are not included.