6S8V

Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Neutrophil gelatinase-associated lipocalin	polymer	186	21131.8	2	UniProt (P80188) Pfam (PF00061)	Homo sapiens (Human)	NGAL,25 kDa alpha-2-microglobulin-related subunit of MMP-9,Lipocalin-2,Oncogene 24p3,Siderocalin,p25
2	B, D (B, D)	4F2 cell-surface antigen heavy chain	polymer	431	47485.3	2	UniProt (P08195) Pfam (PF00128)	Homo sapiens (Human)	4F2hc,4F2 heavy chain antigen,Lymphocyte activation antigen 4F2 large subunit,Solute carrier family 3 member 2
3	E, F, G (A, B, D)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	H, I, J, K (A, B, C, D)	water	water		18.0	895	Chemie (HOH)

Sequence modifications

A, C: 1 - 178 (UniProt: P80188)

PDB	External Database	Details
His 28	Gln 48	engineered mutation
Arg 36	Leu 56	engineered mutation
Thr 40	Ala 60	engineered mutation
Gly 41	Ile 61	engineered mutation
Gly 49	Gln 69	engineered mutation
Phe 52	Tyr 72	engineered mutation
Tyr 68	Ser 88	engineered mutation
Trp 70	Leu 90	engineered mutation
Gly 72	Arg 92	engineered mutation
Gln 73	Lys 93	engineered mutation
Met 77	Asp 97	engineered mutation
Ser 79	Trp 99	engineered mutation
Gly 81	Arg 101	engineered mutation
Ser 87	Cys 107	engineered mutation
Ala 100	Tyr 120	engineered mutation
Arg 103	Leu 123	engineered mutation
Trp 106	Tyr 126	engineered mutation
Ser 125	Lys 145	engineered mutation
Thr 127	Ser 147	engineered mutation
Gly 132	Tyr 152	engineered mutation
Ala 134	Lys 154	engineered mutation
Ser 179	-	expression tag
Ala 180	-	expression tag
His 181	-	expression tag
His 182	-	expression tag
His 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag
His 186	-	expression tag

B, D: 111 - 529 (UniProt: P08195)

PDB	External Database	Details
Ala 99	-	expression tag
Ser 100	-	expression tag
Trp 101	-	expression tag
Ser 102	-	expression tag
His 103	-	expression tag
Pro 104	-	expression tag
Gln 105	-	expression tag
Phe 106	-	expression tag
Glu 107	-	expression tag
Lys 108	-	expression tag
Gly 109	-	expression tag
Ala 110	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	137234.3
Non-Polymers*	Number of molecules	3
	Total formula weight	186.2
All*	Total formula weight	137420.5

*Water molecules are not included.