4XL8

Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with 2-O-Methyl-5-N-Acetylneuraminic Acid

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	22420.9	3	UniProt (A0MK70) Pfam (PF00541)	Human adenovirus 52	Adenovirus 52 short fiber knob
2	D, I (A, C)	2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid	non-polymer		323.3	2	Chemie (MNA)
3	E (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	F (B)	TRIS(HYDROXYETHYL)AMINOMETHANE	non-polymer		163.2	1	Chemie (TAM)
5	G (B)	GLUTAMIC ACID	non-polymer		147.1	1	Chemie (GLU)
6	H (B)	ALANINE	non-polymer		89.1	1	Chemie (ALA)
7	J (C)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
8	K (C)	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	1	Chemie (MRD)
9	L, M, N (A, B, C)	water	water		18.0	351	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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	67262.6
Non-Polymers*	Number of molecules	8
	Total formula weight	1374.5
All*	Total formula weight	68637.1

*Water molecules are not included.