9L62

A novel allosteric covalent inhibitory site of fucosyltransferase 8 revealed by crystal structures

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Alpha-(1,6)-fucosyltransferase	polymer	499	57638.8	2	UniProt (Q9BYC5) Pfam (PF19745) Pfam (PF14604)	Homo sapiens (human)	Alpha1-6FucT,Fucosyltransferase 8,GDP-L-Fuc:N-acetyl-beta-D-glucosaminide alpha1,6-fucosyltransferase,GDP-fucose--glycoprotein fucosyltransferase,Glycoprotein 6-alpha-L-fucosyltransferase
2	C (B)	1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine	non-polymer		505.4	1	Chemie (XC9)
3	D, E (A, B)	water	water		18.0	4	Chemie (HOH)

Sequence modifications

A, B: 105 - 575 (UniProt: Q9BYC5)

PDB	External Database	Details
Asp 77	-	expression tag
Ala 78	-	expression tag
Ala 79	-	expression tag
Gln 80	-	expression tag
Pro 81	-	expression tag
Ala 82	-	expression tag
Asp 83	-	expression tag
Tyr 84	-	expression tag
Lys 85	-	expression tag
Asp 86	-	expression tag
His 87	-	expression tag
Asp 88	-	expression tag
Gly 89	-	expression tag
Asp 90	-	expression tag
Tyr 91	-	expression tag
Lys 92	-	expression tag
Asp 93	-	expression tag
His 94	-	expression tag
Asp 95	-	expression tag
Ile 96	-	expression tag
Asp 97	-	expression tag
Tyr 98	-	expression tag
Lys 99	-	expression tag
Asp 100	-	expression tag
Asp 101	-	expression tag
Asp 102	-	expression tag
Asp 103	-	expression tag
Lys 104	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	115277.6
Non-Polymers*	Number of molecules	1
	Total formula weight	505.4
All*	Total formula weight	115783.0

*Water molecules are not included.