3TY8

Crystal Structure of C. Thermocellum PNKP Ligase Domain Apo Form

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Polynucleotide 2',3'-cyclic phosphate phosphodiesterase / polynucleotide 5'-hydroxyl-kinase / polynucleotide 3'-phosphatase	polymer	413	47547.3	2	UniProt (A3DJ38) Pfam (PF16542)	Clostridium thermocellum
2	C, D, G (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
3	E, F (A, B)	D(-)-TARTARIC ACID	non-polymer		150.1	2	Chemie (TAR)
4	H, I (A, B)	water	water		18.0	115	Chemie (HOH)

Sequence modifications

A, B: 479 - 870 (UniProt: A3DJ38)

PDB	External Database	Details
Met 458	-	expression tag
Gly 459	-	expression tag
His 460	-	expression tag
His 461	-	expression tag
His 462	-	expression tag
His 463	-	expression tag
His 464	-	expression tag
His 465	-	expression tag
His 466	-	expression tag
His 467	-	expression tag
His 468	-	expression tag
His 469	-	expression tag
Ser 470	-	expression tag
Ser 471	-	expression tag
Gly 472	-	expression tag
His 473	-	expression tag
Ile 474	-	expression tag
Glu 475	-	expression tag
Gly 476	-	expression tag
Arg 477	-	expression tag
His 478	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95094.6
Non-Polymers*	Number of molecules	5
	Total formula weight	576.5
All*	Total formula weight	95671.1

*Water molecules are not included.