6SUA

Structure of the high affinity engineered lipocalin C1B12 in complex with the mouse 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	21462.3	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	434	48366.6	2	UniProt (P10852) Pfam (PF00128)	Mus musculus (Mouse)	4F2hc,Solute carrier family 3 member 2
3	E, F, G, H, I... (A, B, C, D)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
4	Q, R, S, T (A, B, C, D)	water	water		18.0	146	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
His 28	Gln 48	engineered mutation
Gly 40	Ala 60	engineered mutation
Asn 41	Ile 61	engineered mutation
Leu 49	Gln 69	engineered mutation
Asp 68	Ser 88	engineered mutation
Ile 72	Arg 92	engineered mutation
Asp 73	Lys 93	engineered mutation
His 77	Asp 97	engineered mutation
Leu 79	Trp 99	engineered mutation
Asn 81	Arg 101	engineered mutation
Ser 87	Cys 107	engineered mutation
Ser 96	Asn 116	engineered mutation
Thr 100	Tyr 120	engineered mutation
Leu 101	Pro 121	engineered mutation
Ser 103	Leu 123	engineered mutation
Arg 106	Tyr 126	engineered mutation
Trp 125	Lys 145	engineered mutation
His 127	Ser 147	engineered mutation
Trp 132	Tyr 152	engineered mutation
Tyr 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: 105 - 526 (UniProt: P10852)

PDB	External Database	Details
Ala 93	-	expression tag
Ser 94	-	expression tag
Trp 95	-	expression tag
Ser 96	-	expression tag
His 97	-	expression tag
Pro 98	-	expression tag
Gln 99	-	expression tag
Phe 100	-	expression tag
Glu 101	-	expression tag
Lys 102	-	expression tag
Gly 103	-	expression tag
Ala 104	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	139657.6
Non-Polymers*	Number of molecules	12
	Total formula weight	1152.8
All*	Total formula weight	140810.4

*Water molecules are not included.