6GLM

Crystal structure of hMTH1 N33A in complex with LW14 in the absence 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	7,8-dihydro-8-oxoguanine triphosphatase	polymer	182	21061.9	1	UniProt (P36639) Pfam (PF00293) In PDB	Homo sapiens (Human)	2-hydroxy-dATP diphosphatase,8-oxo-dGTPase,Nucleoside diphosphate-linked moiety X motif 1,Nudix motif 1
2	A	1~{H}-imidazo[4,5-b]pyridin-2-amine	non-polymer		134.1	1	Chemie (BU8)
3	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4		water	water		18.0	196	Chemie (HOH)

Sequence modifications

A: 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
Ala 33	Asn 48	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21061.9
Non-Polymers*	Number of molecules	3
	Total formula weight	326.3
All*	Total formula weight	21388.2

*Water molecules are not included.