3TCX

Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I...	Intercellular adhesion molecule 1	polymer	85	9214.6	14	UniProt (P05362) Pfam (PF03921) In PDB	Homo sapiens (human)	ICAM-1, CD54, HUMAN RHINOVIRUS RECEPTOR
2	B, D, F, H, J...	Integrin alpha-L	polymer	180	20622.6	14	UniProt (P20701) Pfam (PF00092) In PDB	Homo sapiens (human)	CD11A, LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN 1 ALPHA CHAIN, LFA-1 ALPHA CHAIN, LEUKOCYTE FUNCTION-ASSOCIATED MOLECULE 1 ALPHA CHAIN, ITGAL
3	B, D, F, H, J...	MAGNESIUM ION	non-polymer		24.3	14	Chemie (MG)

Sequence modifications

A, C, E, G, I, K, M, O, Q, S, U, W, Y, a: 3 - 85 (UniProt: P05362)

PDB	External Database	Details
Met 1	-	EXPRESSION TAG
Val 2	Thr 29	ENGINEERED MUTATION
Thr 10	Ile 37	ENGINEERED MUTATION
Ala 23	Thr 50	ENGINEERED MUTATION
Val 38	Pro 65	ENGINEERED MUTATION
Val 63	Pro 90	ENGINEERED MUTATION
Ala 67	Ser 94	ENGINEERED MUTATION
Ala 78	Thr 105	ENGINEERED MUTATION

B, D, F, H, J, L, N, P, R, T, V, X, Z, b: 129 - 307 (UniProt: P20701)

PDB	External Database	Details
Met 128	-	EXPRESSION TAG
Trp 189	Arg 214	SEE REMARK 999
Ser 265	Phe 290	ENGINEERED MUTATION

Contents of the asymmetric unit

Polymers	Number of chains	28
	Total formula weight	417721.3
Non-Polymers*	Number of molecules	14
	Total formula weight	340.3
All*	Total formula weight	418061.6

*Water molecules are not included.