6EUP

Crystal structure of Neisseria meningitidis NadA variant 3 double mutant A33I-I38L

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)	Adhesin A	polymer	156	16756.4	3	UniProt (Q8KH85) UniProt (by SIFTS) (P0DV44)	Neisseria meningitidis	NadA autotransporter,Putative adhesin/invasin
2	D (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	AA, BA, CA, E, F... (C, A, B)	1,2-ETHANEDIOL	non-polymer		62.1	18	Chemie (EDO)
4	DA, EA, K, L, R (C, A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	5	Chemie (MPD)
5	S, T (B)	HEXAETHYLENE GLYCOL	non-polymer		282.3	2	Chemie (P6G)
6	FA, U, V (C, B)	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
7	GA, HA, IA (A, B, C)	water	water		18.0	53	Chemie (HOH)

Sequence modifications

A, B, C: 24 - 170 (UniProt: Q8KH85)

PDB	External Database	Details
Ile 33	Ala 33	engineered mutation
Leu 38	Ile 38	engineered mutation
Ala 171	-	expression tag
Ser 172	-	expression tag
Lys 173	-	expression tag
His 174	-	expression tag
His 175	-	expression tag
His 176	-	expression tag
His 177	-	expression tag
His 178	-	expression tag
His 179	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	50269.3
Non-Polymers*	Number of molecules	29
	Total formula weight	2593.1
All*	Total formula weight	52862.4

*Water molecules are not included.