5IN5

Crystal Structure of GDP-mannose 4,6 dehydratase in complex with natural inhibitor GDP-Fucose

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, J, L, P (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	F, K, M, Q (A, B, C, D)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	4	Chemie (GDP)
4	G, I, N, O (A, B, C, D)	GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE	non-polymer		589.3	4	Chemie (GFB)
5	H (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	R, S, T, U (A, B, C, D)	water	water		18.0	1504	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
Glu 16	-	expression tag
Asn 17	-	expression tag
Leu 18	-	expression tag
Tyr 19	-	expression tag
Phe 20	-	expression tag
Gln 21	-	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	13
	Total formula weight	7195.9
All*	Total formula weight	173796.6

*Water molecules are not included.