5E6S

Structures of leukocyte integrin aLB2: The aI domain, the headpiece, and the pocket for the internal ligand

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	Integrin alpha-L	polymer	795	87841.1	3	UniProt (P20701) Pfam (PF00092) Pfam (PF01839) Pfam (PF08441) In PDB	Homo sapiens (Human)	CD11 antigen-like family member A,Leukocyte adhesion glycoprotein LFA-1 alpha chain,LFA-1A,Leukocyte function-associated molecule 1 alpha chain
2	B, D, F	Integrin beta-2	polymer	510	56899.8	3	UniProt (P05107) Pfam (PF17205) Pfam (PF00362) In PDB	Homo sapiens (Human)	Cell surface adhesion glycoproteins LFA-1/CR3/p150,95 subunit beta,Complement receptor C3 subunit beta
3	A, C, E	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	E, F, A, B, C...	CALCIUM ION	non-polymer		40.1	15	Chemie (CA)
5	E, F, A, B, C...	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	9	Chemie (NAG)
6		water	water		18.0	2052	Chemie (HOH)

Sequence modifications

A, C, E: 1 - 745 (UniProt: P20701)

PDB	External Database	Details
Trp 189	Arg 214	variant
Arg 645	Asn 670	engineered mutation
Arg 701	Asn 726	engineered mutation
Pro 746	-	expression tag
Ala 747	-	expression tag
Ala 748	-	expression tag
Leu 749	-	expression tag
Gln 750	-	expression tag
Thr 751	-	expression tag
Leu 752	-	expression tag
Phe 753	-	expression tag
Gln 754	-	expression tag
Gly 755	-	expression tag
Pro 756	-	expression tag
Leu 757	-	expression tag
Gly 758	-	expression tag
Ala 759	-	expression tag
Gln 760	-	expression tag
Gly 761	-	expression tag
Glu 762	-	expression tag
Lys 763	-	expression tag
Glu 764	-	expression tag
Leu 765	-	expression tag
Gln 766	-	expression tag
Ala 767	-	expression tag
Leu 768	-	expression tag
Glu 769	-	expression tag
Lys 770	-	expression tag
Glu 771	-	expression tag
Asn 772	-	expression tag
Ala 773	-	expression tag
Gln 774	-	expression tag
Leu 775	-	expression tag
Glu 776	-	expression tag
Trp 777	-	expression tag
Glu 778	-	expression tag
Leu 779	-	expression tag
Gln 780	-	expression tag
Ala 781	-	expression tag
Leu 782	-	expression tag
Glu 783	-	expression tag
Lys 784	-	expression tag
Glu 785	-	expression tag
Leu 786	-	expression tag
Ala 787	-	expression tag
Gln 788	-	expression tag
His 789	-	expression tag
His 790	-	expression tag
His 791	-	expression tag
His 792	-	expression tag
His 793	-	expression tag
His 794	-	expression tag
Ala 795	-	expression tag

B, D, F: 1 - 460 (UniProt: P05107)

PDB	External Database	Details
Lys 232	Asn 254	engineered mutation
Pro 461	-	expression tag
Ala 462	-	expression tag
Ala 463	-	expression tag
Leu 464	-	expression tag
Gln 465	-	expression tag
Thr 466	-	expression tag
Leu 467	-	expression tag
Phe 468	-	expression tag
Gln 469	-	expression tag
Gly 470	-	expression tag
Pro 471	-	expression tag
Leu 472	-	expression tag
Gly 473	-	expression tag
Ala 474	-	expression tag
Gln 475	-	expression tag
Gly 476	-	expression tag
Lys 477	-	expression tag
Lys 478	-	expression tag
Lys 479	-	expression tag
Leu 480	-	expression tag
Gln 481	-	expression tag
Ala 482	-	expression tag
Leu 483	-	expression tag
Lys 484	-	expression tag
Lys 485	-	expression tag
Lys 486	-	expression tag
Asn 487	-	expression tag
Ala 488	-	expression tag
Gln 489	-	expression tag
Leu 490	-	expression tag
Lys 491	-	expression tag
Trp 492	-	expression tag
Lys 493	-	expression tag
Leu 494	-	expression tag
Gln 495	-	expression tag
Ala 496	-	expression tag
Leu 497	-	expression tag
Lys 498	-	expression tag
Lys 499	-	expression tag
Lys 500	-	expression tag
Leu 501	-	expression tag
Ala 502	-	expression tag
Gln 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag
His 508	-	expression tag
His 509	-	expression tag
Ala 510	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	434222.7
Non-Polymers*	Number of molecules	27
	Total formula weight	2665.0
All*	Total formula weight	436887.6

*Water molecules are not included.