4FL4

Scaffoldin conformation and dynamics revealed by a ternary complex from the Clostridium thermocellum cellulosome

Replaces:  3P0D

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, G, J (A, D, G, J)	Glycoside hydrolase family 9	polymer	88	9948.2	4	UniProt (D1NID1) Pfam (PF00404) UniProt (by SIFTS) (A3DDN1)	Clostridium thermocellum
2	B, E, H, K (B, E, H, K)	Scaffolding dockerin binding protein A	polymer	187	20550.2	4	UniProt (P71143) Pfam (PF00963)	Clostridium thermocellum
3	C, F, I, L (C, F, I, L)	Cellulosome anchoring protein cohesin region	polymer	321	34659.9	4	UniProt (C7HJU1) Pfam (PF00963) Pfam (PF00404) UniProt (by SIFTS) (Q46453)	Clostridium thermocellum
4	AB, AC, DA, EA, IB... (G, L, D, I, A...)	CALCIUM ION	non-polymer		40.1	16	Chemie (CA)
5	AA, BA, BB, BC, CA... (C, H, L, E, I...)	SULFATE ION	non-polymer		96.1	58	Chemie (SO4)
6	IC, JC, KC, LC, MC... (B, C, D, E, F...)	water	water		18.0	43	Chemie (HOH)

Sequence modifications

A, D, G, J: 23 - 88 (UniProt: D1NID1)

PDB	External Database	Details
Met 1	-	expression tag
Gly 2	-	expression tag
His 3	-	expression tag
His 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
His 11	-	expression tag
His 12	-	expression tag
Ser 13	-	expression tag
Ser 14	-	expression tag
Gly 15	-	expression tag
His 16	-	expression tag
Ile 17	-	expression tag
Glu 18	-	expression tag
Gly 19	-	expression tag
Arg 20	-	expression tag
His 21	-	expression tag
Met 22	-	expression tag

B, E, H, K: 14 - 187 (UniProt: P71143)

PDB	External Database	Details
Met 1	-	expression tag
Arg 2	-	expression tag
Gly 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
Thr 11	-	expression tag
Asp 12	-	expression tag
Leu 13	-	expression tag
Phe 187	Tyr 200	conflict

C, F, I, L: 2 - 313 (UniProt: C7HJU1)

PDB	External Database	Details
Met 1	-	initiating methionine
Leu 314	-	expression tag
Glu 315	-	expression tag
His 316	-	expression tag
His 317	-	expression tag
His 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	260633.4
Non-Polymers*	Number of molecules	74
	Total formula weight	6212.9
All*	Total formula weight	266846.3

*Water molecules are not included.