6Z2C

Engineered lipocalin C3A5 in complex with a transition state analog

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	Neutrophil gelatinase-associated lipocalin	polymer	188	21819.8	3	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	D, E, F (A, B, C)	1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione	non-polymer		484.0	3	Chemie (Q5E)
3	G, H, I (A, B, C)	water	water		18.0	272	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
His 28	Gln 48	engineered mutation
Met 36	Leu 56	engineered mutation
Gly 40	Ala 60	engineered mutation
Asp 41	Ile 61	engineered mutation
Tyr 49	Gln 69	engineered mutation
Arg 52	Tyr 72	engineered mutation
Trp 68	Ser 88	engineered mutation
Trp 70	Leu 90	engineered mutation
Leu 72	Arg 92	engineered mutation
Pro 73	Lys 93	engineered mutation
Lys 77	Asp 97	engineered mutation
Phe 79	Trp 99	engineered mutation
Asn 81	Arg 101	engineered mutation
Ser 87	Cys 107	engineered mutation
Leu 96	Asn 116	engineered mutation
Gln 103	Leu 123	engineered mutation
Leu 106	Tyr 126	engineered mutation
Thr 125	Lys 145	engineered mutation
Ile 127	Ser 147	engineered mutation
Arg 132	Tyr 152	engineered mutation
Tyr 134	Lys 154	engineered mutation
Ser 179	-	expression tag
Ala 180	-	expression tag
Trp 181	-	expression tag
Ser 182	-	expression tag
His 183	-	expression tag
Pro 184	-	expression tag
Gln 185	-	expression tag
Phe 186	-	expression tag
Glu 187	-	expression tag
Lys 188	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	65459.5
Non-Polymers*	Number of molecules	3
	Total formula weight	1452.0
All*	Total formula weight	66911.5

*Water molecules are not included.