7C2M

Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with NITD-349

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Chimera of drug exporters of the RND superfamily-like protein and 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 (A)	N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide	non-polymer		306.4	1	Chemie (FFU)
3	C, D, E, F, G (A)	alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside	non-polymer		510.6	5	Chemie (L6T)
4	H, I (A)	(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID	non-polymer		190.2	2	Chemie (MHA)

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	3239.7
All*	Total formula weight	106246.2

*Water molecules are not included.