5HHF

Crystal structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant H63A with covalent FAD-Galactopyranose and bound UDP

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	UDP-galactopyranose mutase	polymer	513	57061.4	4	UniProt (Q4W1X2) Pfam (PF13450) In PDB	Neosartorya fumigata
2	A, B, C, D	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
3	A, B, C, D	MESO-ERYTHRITOL	non-polymer		122.1	4	Chemie (MRY)
4	A, B	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate	non-polymer		949.7	2	Chemie (62F)
5	A, B	URIDINE-5'-DIPHOSPHATE	non-polymer		404.2	2	Chemie (UDP)
6	C, D	DIHYDROFLAVINE-ADENINE DINUCLEOTIDE	non-polymer		787.6	2	Chemie (FDA)
7		water	water		18.0	740	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 510 (UniProt: Q4W1X2)

PDB	External Database	Details
Ala -2	-	expression tag
Ile -1	-	expression tag
Ala 0	-	expression tag
Ala 63	His 63	engineered mutation
Ala 344	Lys 344	engineered mutation
Ala 345	Lys 345	engineered mutation
Thr 429	Ala 429	see REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	228245.7
Non-Polymers*	Number of molecules	20
	Total formula weight	5732.0
All*	Total formula weight	233977.7

*Water molecules are not included.