9HH2

Crystal structure of the family S1_19 carrageenan sulfatase ZgCgsA from Zobellia galactanivorans in complex with hybrid a-i-neocarratetraose

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)	Sulfatase, family S1-19	polymer	480	54778.5	2	UniProt (G0L000) Pfam (PF00884)	Zobellia galactanivorans
2	C, D (G, H)	3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose	branched		870.7	2	In PDB
3	E, R (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	F, G, H, S, T... (A, B)	BROMIDE ION	non-polymer		79.9	6	Chemie (BR)
5	I, J, K, L, M... (A, B)	CHLORIDE ION	non-polymer		35.5	9	Chemie (CL)
6	AA, O, P, Q, Y... (B, A)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
7	BA, CA (A, B)	water	water		18.0	997	Chemie (HOH)

Sequence modifications

A, B: 44 - 511 (UniProt: G0L000)

PDB	External Database	Details
Met 32	-	initiating methionine
Gly 33	-	expression tag
Ser 34	-	expression tag
Ser 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
His 38	-	expression tag
His 39	-	expression tag
His 40	-	expression tag
His 41	-	expression tag
Gly 42	-	expression tag
Ser 43	-	expression tag
Ose 96	Cys 96	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	109557.0
Branched	Number of molecules	2
	Total formula weight	1741.5
Non-Polymers*	Number of molecules	23
	Total formula weight	1431.2
All*	Total formula weight	112729.7

*Water molecules are not included.