8DR2

Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

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 (A, C, E, G)	Carbonic anhydrase	polymer	243	27315.7	4	UniProt (Q50940)	Neisseria gonorrhoeae	Carbonate dehydratase
2	E, I, M, R (A, C, E, G)	2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide	non-polymer		304.4	4	Chemie (TE3)
3	F, J, N, S (A, C, E, G)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	G, H, K, L, O... (A, C, E, G)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
5	W, X, Y, Z (A, C, E, G)	water	water		18.0	18	Chemie (HOH)

Sequence modifications

A, C, E, G: 1 - 226 (UniProt: Q50940)

PDB	External Database	Details
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Asp -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	109262.9
Non-Polymers*	Number of molecules	18
	Total formula weight	2439.8
All*	Total formula weight	111702.7

*Water molecules are not included.