9X31

Cryo-EM structure of R. castenholzii ModBC with ATP-bound in the pre-catalytic (inward-facing) state.

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)	Molybdenum transport system permease	polymer	273	29686.1	2	UniProt (A7NL88) Pfam (PF00528)	Roseiflexus castenholzii DSM 13941
2	C, D (C, D)	ABC transporter related	polymer	373	41575.8	2	UniProt (A7NL87) Pfam (PF00005) Pfam (PF08402)	Roseiflexus castenholzii DSM 13941
3	E, G (C, D)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
4	F, H (C, D)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)

Sequence modifications

A, B: 1 - 226 (UniProt: A7NL88)

PDB	External Database	Details
Met -46	-	initiating methionine
Met -45	-	expression tag
Lys -44	-	expression tag
Thr -43	-	expression tag
Ile -42	-	expression tag
Ile -41	-	expression tag
Ala -40	-	expression tag
Leu -39	-	expression tag
Ser -38	-	expression tag
Tyr -37	-	expression tag
Ile -36	-	expression tag
Phe -35	-	expression tag
Cys -34	-	expression tag
Leu -33	-	expression tag
Val -32	-	expression tag
Phe -31	-	expression tag
Ala -30	-	expression tag
Trp -29	-	expression tag
Ser -28	-	expression tag
His -27	-	expression tag
Pro -26	-	expression tag
Gln -25	-	expression tag
Phe -24	-	expression tag
Glu -23	-	expression tag
Lys -22	-	expression tag
Gly -21	-	expression tag
Gly -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Gly -17	-	expression tag
Gly -16	-	expression tag
Gly -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Gly -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
Trp -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
Pro -6	-	expression tag
Gln -5	-	expression tag
Phe -4	-	expression tag
Glu -3	-	expression tag
Lys -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag

C, D: 1 - 362 (UniProt: A7NL87)

PDB	External Database	Details
Met -10	-	initiating methionine
Asp -9	-	expression tag
Tyr -8	-	expression tag
Lys -7	-	expression tag
Asp -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Lys -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Gln 161	Glu 161	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	142523.7
Non-Polymers*	Number of molecules	4
	Total formula weight	1063.0
All*	Total formula weight	143586.7

*Water molecules are not included.