3E2M

LFA-1 I domain bound to inhibitors

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)	Integrin alpha-L	polymer	185	21094.2	2	UniProt (P20701) Pfam (PF00092)	Homo sapiens (Human)	Leukocyte adhesion glycoprotein LFA-1 alpha chain, LFA-1A, Leukocyte function-associated molecule 1 alpha chain, CD11a antigen
2	C, D (A, B)	cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid	non-polymer		617.6	2	Chemie (E2M)
3	E, F (A, B)	water	water		18.0	368	Chemie (HOH)

Sequence modifications

A, B: 127 - 309 (UniProt: P20701)

PDB	External Database	Details
Gly 125	-	expression tag
Ser 126	-	expression tag
Trp 189	Arg 214	variant

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	42188.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1235.2
All*	Total formula weight	43423.5

*Water molecules are not included.