6NJ6

Thermostable variant of human carbonic anhydrase with tetrazine 2.0 at site 186 reacted with sTCO in crystallo

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Carbonic anhydrase 2	polymer	266	30241.9	2	UniProt (P00918) Pfam (PF00194)	Homo sapiens (Human)	Carbonate dehydratase II,Carbonic anhydrase C,CAC,Carbonic anhydrase II,CA-II
2	C, J (A, B)	METHANOL	non-polymer		32.0	2	Chemie (MOH)
3	D, I, K, L, P (A, B)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
4	E, F, G, M, N (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
5	H, O (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	Q, R (A, B)	water	water		18.0	630	Chemie (HOH)

Sequence modifications

A, B: 2 - 260 (UniProt: P00918)

PDB	External Database	Details
Met 0	-	initiating methionine
Ala 1	-	expression tag
Thr 64	Ala 65	engineered mutation
His 99	Leu 100	engineered mutation
Asn 153	Lys 153	engineered mutation
Djd 186	Glu 186	engineered mutation
Ser 223	Leu 223	engineered mutation
Pro 239	Leu 239	engineered mutation
Thr 247	Ala 247	engineered mutation
His 261	-	expression tag
His 262	-	expression tag
His 263	-	expression tag
His 264	-	expression tag
His 265	-	expression tag
His 266	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60483.8
Non-Polymers*	Number of molecules	14
	Total formula weight	1135.7
All*	Total formula weight	61619.5

*Water molecules are not included.