5NKN

Crystal structure of an Anticalin-colchicine complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Neutrophil gelatinase-associated lipocalin	polymer	174	19942.7	1	UniProt (P80188) Pfam (PF00061)	Homo sapiens (Human)	NGAL,25 kDa alpha-2-microglobulin-related subunit of MMP-9,Lipocalin-2,Oncogene 24p3,Siderocalin LCN2,p25
2	B (A)	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide	non-polymer		399.4	1	Chemie (LOC)
3	C (A)	water	water		18.0	36	Chemie (HOH)

Sequence modifications

A: 5 - 178 (UniProt: P80188)

PDB	External Database	Details
His 28	Gln 48	engineered mutation
Val 36	Leu 56	engineered mutation
Gly 40	Ala 60	engineered mutation
Phe 41	Ile 61	engineered mutation
Ile 49	Gln 69	engineered mutation
Ala 52	Tyr 72	engineered mutation
Phe 68	Ser 88	engineered mutation
Gln 69	Val 89	engineered mutation
Lys 70	Leu 90	engineered mutation
Pro 72	Arg 92	engineered mutation
Met 73	Lys 93	engineered mutation
Gln 77	Asp 97	engineered mutation
Met 79	Trp 99	engineered mutation
Thr 80	Ile 100	engineered mutation
Asp 81	Arg 101	engineered mutation
Leu 83	Phe 103	engineered mutation
Ser 87	Cys 107	engineered mutation
Glu 100	Tyr 120	engineered mutation
Tyr 103	Leu 123	engineered mutation
Trp 106	Tyr 126	engineered mutation
Ala 125	Lys 145	engineered mutation
Gln 127	Ser 147	engineered mutation
Asp 132	Tyr 152	engineered mutation
Phe 134	Lys 154	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19942.7
Non-Polymers*	Number of molecules	1
	Total formula weight	399.4
All*	Total formula weight	20342.1

*Water molecules are not included.