4U3S

Crystal structure of Coh3ScaB-XDoc_M1ScaA complex: A N-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cellulosomal scaffoldin adaptor protein B	polymer	168	18318.6	1	UniProt (Q7WYN3) Pfam (PF00963) In PDB	Acetivibrio cellulolyticus	Coh3ScaB
2	B	Cellulosomal scaffoldin	polymer	184	19433.7	1	UniProt (Q9RPL0) Pfam (PF13620) In PDB	Acetivibrio cellulolyticus	XDoc_M1ScaA
3	A, B	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	non-polymer		207.3	3	Chemie (NHE)
4	B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5		water	water		18.0	341	Chemie (HOH)

Sequence modifications

A: 2 - 168 (UniProt: Q7WYN3)

PDB	External Database	Details
Met 1	-	initiating methionine

B: 24 - 184 (UniProt: Q9RPL0)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Ser 11	-	expression tag
Ser 12	-	expression tag
Gly 13	-	expression tag
Leu 14	-	expression tag
Val 15	-	expression tag
Pro 16	-	expression tag
Arg 17	-	expression tag
Gly 18	-	expression tag
Ser 19	-	expression tag
His 20	-	expression tag
Met 21	-	expression tag
Ala 22	-	expression tag
Ser 23	-	expression tag
Gly 145	Asn 1876	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	37752.3
Non-Polymers*	Number of molecules	5
	Total formula weight	702.0
All*	Total formula weight	38454.3

*Water molecules are not included.