9TAB

Crystal Structure of Human Adenovirus 52 Short Fiber Knob Mutant N243R in Complex with alpha-(2,8)-Pentasialic Acid (DP5)

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 (A, B, C)	Fiber-1	polymer	209	22464.0	3	UniProt (A0MK70)	human adenovirus 52
2	D (B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD) PubChem (5288834)
3	E (C)	N-acetyl-alpha-neuraminic acid	non-polymer		309.3	1	Chemie (SIA) PubChem (444885)
4	F, G, H (A, B, C)	water	water		18.0	416	Chemie (HOH)

Sequence modifications

A, B, C: 183 - 363 (UniProt: A0MK70)

PDB	External Database	Details
Met 155	-	initiating methionine
Arg 156	-	expression tag
Gly 157	-	expression tag
Ser 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
Gly 165	-	expression tag
Ser 166	-	expression tag
Gly 167	-	expression tag
Ser 168	-	expression tag
Gly 169	-	expression tag
Ser 170	-	expression tag
Gly 171	-	expression tag
Ile 172	-	expression tag
Glu 173	-	expression tag
Gly 174	-	expression tag
Arg 175	-	expression tag
Pro 176	-	expression tag
Tyr 177	-	expression tag
Asn 178	-	expression tag
Gly 179	-	expression tag
Thr 180	-	expression tag
Gly 181	-	expression tag
Ser 182	-	expression tag
Arg 243	Asn 243	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	67391.9
Non-Polymers*	Number of molecules	2
	Total formula weight	427.4
All*	Total formula weight	67819.3

*Water molecules are not included.