7C2N

Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SPIRO

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Drug exporters of the RND superfamily-like protein,Endolysin	polymer	934	103006.5	1	UniProt (I7G2R2) UniProt (A0A097J809) Pfam (PF03176) UniProt (by SIFTS) (A0QP27)	Mycolicibacterium smegmatis MC2 155	Lysis protein,Lysozyme,Muramidase
2	B, C, D, E, F (A)	alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside	non-polymer		510.6	5	Chemie (L6T)
3	G, H (A)	(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID	non-polymer		190.2	2	Chemie (MHA)
4	I (A)	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]	non-polymer		357.5	1	Chemie (FG0)

Sequence modifications

A: 1 - 748 (UniProt: I7G2R2)

PDB	External Database	Details
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag
Glu 749	-	linker
Phe 750	-	linker

A: 751 - 910 (UniProt: A0A097J809)

PDB	External Database	Details
Thr 803	Cys 54	engineered mutation
Ala 846	Cys 97	engineered mutation
Glu 911	-	expression tag
Phe 912	-	expression tag
His 913	-	expression tag
Leu 914	-	expression tag
Gly 915	-	expression tag
Gly 916	-	expression tag
Ile 917	-	expression tag
Lys 918	-	expression tag
Ala 919	-	expression tag
Phe 920	-	expression tag
His 921	-	expression tag
His 922	-	expression tag
His 923	-	expression tag
His 924	-	expression tag
His 925	-	expression tag
His 926	-	expression tag
His 927	-	expression tag
His 928	-	expression tag
His 929	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	103006.5
Non-Polymers*	Number of molecules	8
	Total formula weight	3290.8
All*	Total formula weight	106297.4

*Water molecules are not included.