4HGD

Structural insights into yeast Nit2: C169S mutant of yeast Nit2 in complex with an endogenous peptide-like ligand

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Probable hydrolase NIT2	polymer	341	38277.7	4	UniProt (P47016) Pfam (PF00795)	Saccharomyces cerevisiae (Baker's yeast)
2	E, F, G, H, I... (A, B, C, D)	GLYCEROL	non-polymer		92.1	13	Chemie (GOL)
3	J, N, S, X (A, B, C, D)	CACODYLATE ION	non-polymer		137.0	4	Chemie (CAC)
4	K, O, T, Y (A, B, C, D)	N-(4-carboxy-4-oxobutanoyl)-L-cysteinylglycine	non-polymer		306.3	4	Chemie (KGT)
5	AA, BA, CA, Z (B, C, D, A)	water	water		18.0	330	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 307 (UniProt: P47016)

PDB	External Database	Details
Met -33	-	expression tag
Gly -32	-	expression tag
Ser -31	-	expression tag
Ser -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
Ser -23	-	expression tag
Ser -22	-	expression tag
Gly -21	-	expression tag
Leu -20	-	expression tag
Val -19	-	expression tag
Pro -18	-	expression tag
Arg -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
Met -13	-	expression tag
Ala -12	-	expression tag
Ser -11	-	expression tag
Met -10	-	expression tag
Thr -9	-	expression tag
Gly -8	-	expression tag
Gly -7	-	expression tag
Gln -6	-	expression tag
Gln -5	-	expression tag
Met -4	-	expression tag
Gly -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ser 169	Cys 169	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	153111.0
Non-Polymers*	Number of molecules	21
	Total formula weight	2970.3
All*	Total formula weight	156081.3

*Water molecules are not included.