8OZ1

CjCel5D endo-xyloglucanase bounc to CB665 covalent inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cellulase, putative, cel5D	polymer	396	44396.2	1	UniProt (B3PD52) Pfam (PF00150) In PDB	Cellvibrio japonicus Ueda107
2	A	BORIC ACID	non-polymer		61.8	1	Chemie (BO3)
3	A	~{N}-[(2~{S},3~{S},4~{S},5~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]-2-oxidanyl-ethanamide	non-polymer		395.4	1	Chemie (RBH)
4	A	(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL	non-polymer		194.2	1	Chemie (YLL)
5	A	alpha-D-xylopyranose	non-polymer		150.1	1	Chemie (XYS)
6		water	water		18.0	423	Chemie (HOH)

Sequence modifications

A: 24 - 396 (UniProt: B3PD52)

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44396.2
Non-Polymers*	Number of molecules	4
	Total formula weight	801.5
All*	Total formula weight	45197.7

*Water molecules are not included.