2CDO

structure of agarase carbohydrate binding module in complex with neoagarohexaose

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)	BETA-AGARASE 1	polymer	160	17105.8	4	UniProt (Q6DN99) Pfam (PF03422)	SACCHAROPHAGUS DEGRADANS
2	E, F, G, H (E, F, G, H)	3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose	branched		936.8	4	In PDB GlyTouCan (G13512XO)
3	CA, DA, I, J, N... (D, A, B, C)	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
4	EA, FA, K, L, M... (D, A, B, C)	CHLORIDE ION	non-polymer		35.5	10	Chemie (CL)
5	AA, BA, GA, P, Q... (C, D, B)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
6	HA, IA, JA, KA (A, B, C, D)	water	water		18.0	599	Chemie (HOH)

Sequence modifications

A, B, C, D: -21 - 0 (PDB: 2CDO)
A, B, C, D: 1 - 138 (UniProt: Q6DN99)

PDB	External Database	Details
Mse 5	Ile 460	engineered mutation
Mse 77	Leu 532	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	68423.1
Branched	Number of molecules	4
	Total formula weight	3747.3
Non-Polymers*	Number of molecules	25
	Total formula weight	1109.6
All*	Total formula weight	73280.0

*Water molecules are not included.