5IN4

Crystal Structure of GDP-mannose 4,6 dehydratase bound to a GDP-fucose based inhibitor

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, D (A, B, C, D)	GDP-mannose 4,6 dehydratase	polymer	364	41650.2	4	UniProt (O60547) Pfam (PF16363)	Homo sapiens (Human)	GDP-D-mannose dehydratase,GMD
2	E, I, K, O (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	F, J, L, P (A, B, C, D)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	4	Chemie (GDP)
4	G, H, M, N (A, B, C, D)	[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)	non-polymer		643.3	4	Chemie (6CK)
5	Q, R, S, T (A, B, C, D)	water	water		18.0	1420	Chemie (HOH)

Sequence modifications

A, B, C, D: 23 - 372 (UniProt: O60547)

PDB	External Database	Details
Met -35	-	expression tag
His -34	-	expression tag
His -33	-	expression tag
His -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
Glu -28	-	expression tag
Asn -27	-	expression tag
Leu -26	-	expression tag
Tyr -25	-	expression tag
Phe -24	-	expression tag
Gln -23	-	expression tag
Gly -22	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	166600.7
Non-Polymers*	Number of molecules	12
	Total formula weight	7319.7
All*	Total formula weight	173920.3

*Water molecules are not included.