6GLR

Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the presence of acetate

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)	7,8-dihydro-8-oxoguanine triphosphatase	polymer	182	21047.9	2	UniProt (P36639) Pfam (PF00293)	Homo sapiens (Human)	2-hydroxy-dATP diphosphatase,8-oxo-dGTPase,Nucleoside diphosphate-linked moiety X motif 1,Nudix motif 1
2	C, D, I (A, B)	4-phenylpyrimidin-2-amine	non-polymer		171.2	3	Chemie (F3E)
3	E, J, K (A, B)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
4	F, G, H, L, M... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	O, P (A, B)	water	water		18.0	370	Chemie (HOH)

Sequence modifications

A, B: 1 - 156 (UniProt: P36639)

PDB	External Database	Details
Met -25	-	initiating methionine
Lys -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
Pro -17	-	expression tag
Met -16	-	expression tag
Ser -15	-	expression tag
Asp -14	-	expression tag
Tyr -13	-	expression tag
Asp -12	-	expression tag
Ile -11	-	expression tag
Pro -10	-	expression tag
Thr -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Gly 33	Asn 74	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	42095.8
Non-Polymers*	Number of molecules	12
	Total formula weight	1267.1
All*	Total formula weight	43362.9

*Water molecules are not included.