5EIY

Bacterial cellulose synthase bound to a substrate analogue

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Putative cellulose synthase	polymer	803	90014.7	1	UniProt (Q3J125) Pfam (PF13641) Pfam (PF07238)	Rhodobacter sphaeroides (strain ATCC 17023 / 2.4.1 / NCIB 8253 / DSM 158)
2	B (B)	Putative cellulose synthase	polymer	729	77013.5	1	UniProt (Q3J126) Pfam (PF03170) Pfam (PF20916)	Rhodobacter sphaeroides
3	C (D)	poly(unk)	polymer	9	784.0	1		Rhodobacter sphaeroides
4	D (C)	beta-D-galactopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		2774.4	1	In PDB GlyTouCan (G96452BX)
5	E (A)	DIUNDECYL PHOSPHATIDYL CHOLINE	non-polymer		622.8	1	Chemie (PLC) PubChem (65263) PubChem (87507) PubChem (445355)
6	F (A)	[(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate	non-polymer		370.4	1	Chemie (43Y) PubChem (5313786) PubChem (5313787) PubChem (131750135)
7	G, H (A)	9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)	non-polymer		690.4	2	Chemie (C2E) PubChem (135440063) PubChem (135566344) PubChem (136437725) PubChem (136465801) PubChem (136503951) PubChem (146177770) PubChem (135566464) PubChem (135625254) PubChem (135867623) PubChem (135975628) PubChem (136177399) PubChem (136443483) PubChem (137221491) PubChem (137295286) PubChem (148921766) PubChem (148921769) PubChem (173716374) PubChem (174009991) PubChem (164708340) PubChem (168270823)
8	I, J (A)	LAURYL DIMETHYLAMINE-N-OXIDE	non-polymer		229.4	2	Chemie (LDA) PubChem (15433)
9	K, M (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
10	L (A)	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid	non-polymer		564.3	1	Chemie (660)
11	N (A)	water	water		18.0	11	Chemie (HOH)

Sequence modifications

A: 2 - 788 (UniProt: Q3J125)

PDB	External Database	Details
Met 0	-	initiating methionine
Gly 1	-	expression tag
His 789	-	expression tag
His 790	-	expression tag
His 791	-	expression tag
His 792	-	expression tag
His 793	-	expression tag
His 794	-	expression tag
Lys 795	-	expression tag
Leu 796	-	expression tag
His 797	-	expression tag
His 798	-	expression tag
His 799	-	expression tag
His 800	-	expression tag
His 801	-	expression tag
His 802	-	expression tag

B: 21 - 725 (UniProt: Q3J126)

PDB	External Database	Details
Met -3	-	initiating methionine
Lys -2	-	expression tag
Tyr -1	-	expression tag
Leu 0	-	expression tag
Leu 1	-	expression tag
Pro 2	-	expression tag
Thr 3	-	expression tag
Ala 4	-	expression tag
Ala 5	-	expression tag
Ala 6	-	expression tag
Gly 7	-	expression tag
Leu 8	-	expression tag
Leu 9	-	expression tag
Leu 10	-	expression tag
Leu 11	-	expression tag
Ala 12	-	expression tag
Ala 13	-	expression tag
Gln 14	-	expression tag
Pro 15	-	expression tag
Ala 16	-	expression tag
Met 17	-	expression tag
Ala 18	-	expression tag
Met 19	-	expression tag
Gly 20	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	167812.2
Branched	Number of molecules	1
	Total formula weight	2774.4
Non-Polymers*	Number of molecules	9
	Total formula weight	3445.8
All*	Total formula weight	174032.3

*Water molecules are not included.