9HH4

Crystal structure of the family S1_19 carrageenan sulfatase ZgCgsA from Zobellia galactanivorans in complex with hybrid b-k-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, C, D (A, B, C, D)	Sulfatase, family S1-19	polymer	480	54778.5	4	UniProt (G0L000) Pfam (PF00884) Pfam (PF01663) Pfam (PF16347)	Zobellia galactanivorans
2	E, F, G, H (I, J, K, L)	3,6-anhydro-alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose	branched		710.6	4	In PDB GlyTouCan (G69730VZ)
3	HA, I, QA, X (C, A, D, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	AA, IA, J, JA, K... (B, C, A, D)	BROMIDE ION	non-polymer		79.9	12	Chemie (BR)
5	BA, CA, DA, EA, LA... (B, C, A, D)	CHLORIDE ION	non-polymer		35.5	21	Chemie (CL)
6	FA, GA, U, V, W... (B, A, D)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
7	AB, BB, CB, DB (A, B, C, D)	water	water		18.0	1517	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	219113.9
Branched	Number of molecules	4
	Total formula weight	2842.4
Non-Polymers*	Number of molecules	44
	Total formula weight	2508.3
All*	Total formula weight	224464.7

*Water molecules are not included.