3HEJ

Crystal structure of Staphylococcal nuclease variant Delta+PHS T62R at cryogenic temperature

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, B, C	Thermonuclease	polymer	143	16199.6	4	UniProt (P00644) Pfam (PF00565) In PDB	Staphylococcus aureus	TNase, Micrococcal nuclease, Staphylococcal nuclease, Nuclease B, Nuclease A
2	A, D, B, C	THYMIDINE-3',5'-DIPHOSPHATE	non-polymer		402.2	4	Chemie (THP)
3	A	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
4	A, C	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	B	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	1	Chemie (MRD)
6		water	water		18.0	478	Chemie (HOH)

Sequence modifications

A, D, B, C: 1 - 149 (UniProt: P00644)

PDB	External Database	Details
-	Thr 126	deletion
-	Lys 127	deletion
-	His 128	deletion
-	Pro 129	deletion
-	Lys 130	deletion
-	Lys 131	deletion
Phe 50	Gly 132	engineered mutation
Asn 51	Val 133	engineered mutation
Arg 62	Thr 144	engineered mutation
Gly 117	Pro 199	engineered mutation
Leu 124	His 206	engineered mutation
Ala 128	Ser 210	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	64798.2
Non-Polymers*	Number of molecules	8
	Total formula weight	2029.3
All*	Total formula weight	66827.5

*Water molecules are not included.