3Q2K

Crystal structure of the WlbA dehydrogenase from Bordetella pertussis in complex with NADH and UDP-GlcNAcA

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, E... (A, B, C, D, E...)	oxidoreductase	polymer	370	41249.4	16	UniProt (Q79H45) Pfam (PF01408) Pfam (PF02894)	Bordetella pertussis	WlbA dehydrogenase
2	AA, CA, EA, GA, IA... (F, G, H, I, J...)	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE	non-polymer		665.4	16	Chemie (NAI)
3	BA, DA, FA, HA, JA... (F, G, H, I, J...)	(2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid	non-polymer		621.3	16	Chemie (HP7)
4	AB, BB, CB, DB, EB... (E, F, G, H, I...)	water	water		18.0	617	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P: 1 - 350 (UniProt: Q79H45)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	659990.6
Non-Polymers*	Number of molecules	32
	Total formula weight	20588.4
All*	Total formula weight	680579.1

*Water molecules are not included.