4UYP

High resolution structure of the third cohesin ScaC in complex with the ScaB dockerin with a mutation in the N-terminal helix (IN to SI) from Acetivibrio cellulolyticus displaying a type I interaction.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Cellulosomal scaffoldin anchoring protein C	polymer	151	16512.2	2	UniProt (Q7WYN2) Pfam (PF00963)	Acetivibrio cellulolyticus
2	B, D (B, D)	Cellulosomal scaffoldin adaptor protein B	polymer	75	8382.5	2	UniProt (Q7WYN3) Pfam (PF00404)	Acetivibrio cellulolyticus
3	AA, BA, E, F, G... (D, A, B, C)	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
4	H, O, U (A, B, C)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	3	Chemie (EPE)
5	CA, DA, I, V, W... (D, A, C)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	6	Chemie (MPD)
6	K, L, Y, Z (B, D)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
7	EA, FA, GA, HA (A, B, C, D)	water	water		18.0	640	Chemie (HOH)

Sequence modifications

A, C: 2 - 143 (UniProt: Q7WYN2)

PDB	External Database	Details
Met 1	-	initiating methionine
Leu 144	-	expression tag
Glu 145	-	expression tag
His 146	-	expression tag
His 147	-	expression tag
His 148	-	expression tag
His 149	-	expression tag
His 150	-	expression tag
His 151	-	expression tag

B, D: 1 - 75 (UniProt: Q7WYN3)

PDB	External Database	Details
Ser 15	Ile 882	engineered mutation
Ile 16	Asn 883	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	49789.3
Non-Polymers*	Number of molecules	26
	Total formula weight	2833.1
All*	Total formula weight	52622.4

*Water molecules are not included.