9Y77

Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex in complex with UMN141

This is a non-PDB format compatible entry.

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)	DNA-directed RNA polymerase subunit alpha	polymer	368	40279.0	2	UniProt (P9WGZ1) Pfam (PF01193) Pfam (PF01000) Pfam (PF03118)	Mycobacterium tuberculosis H37Rv	RNAP subunit alpha,RNA polymerase subunit alpha,Transcriptase subunit alpha
2	C (C)	DNA-directed RNA polymerase subunit beta	polymer	1174	129632.3	1	UniProt (P0A681) Pfam (PF04563) Pfam (PF04561) Pfam (PF04565) Pfam (PF10385) Pfam (PF00562) Pfam (PF04560)	Mycobacterium tuberculosis H37Rv	RNAP subunit beta,RNA polymerase subunit beta,Transcriptase subunit beta
3	D (D)	DNA-directed RNA polymerase subunit beta'	polymer	1317	147068.1	1	UniProt (P9WGY7) Pfam (PF04997) Pfam (PF00623) Pfam (PF04983) Pfam (PF05000) Pfam (PF04998)	Mycobacterium tuberculosis H37Rv	RNAP subunit beta',RNA polymerase subunit beta',Transcriptase subunit beta'
4	E (E)	DNA-directed RNA polymerase subunit omega	polymer	110	11851.1	1	UniProt (P9WGY5) Pfam (PF01192)	Mycobacterium tuberculosis H37Rv	RNAP omega subunit,RNA polymerase omega subunit,Transcriptase subunit omega
5	F (F)	RNA polymerase sigma factor SigA	polymer	537	58791.3	1	UniProt (P9WGI1) Pfam (PF00140) Pfam (PF04542) Pfam (PF04539) Pfam (PF04545)	Mycobacterium tuberculosis H37Rv	Sigma-A
6	G (G)	DNA (53-MER)	polymer	62	19274.3	1		Mycobacterium tuberculosis H37Rv
7	H (H)	DNA (53-MER)	polymer	62	19118.2	1		Mycobacterium tuberculosis H37Rv
8	I (C)	(9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl [(8R)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]carbamate	non-polymer		993.2	1	Chemie (A1CSZ)
9	J, K (D)	ZINC ION	non-polymer		65.4	2	Chemie (ZN) PubChem (32051)
10	L (D)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)

Sequence modifications

A, B: 1 - 347 (UniProt: P9WGZ1)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
His -5	-	expression tag
Ile -4	-	expression tag
Glu -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
His 0	-	expression tag

C: 6 - 1178 (UniProt: P0A681)

PDB	External Database	Details
Met 5	-	initiating methionine
Glu 1147	Leu 1147	conflict

D: 0 - 1316 (UniProt: P9WGY7)

PDB	External Database	Details
Val 1	-	insertion

F: 1 - 528 (UniProt: P9WGI1)

PDB	External Database	Details
Met -8	-	initiating methionine
Ala -7	-	expression tag
Asp -6	-	expression tag
Leu -5	-	expression tag
Asn -4	-	expression tag
Trp -3	-	expression tag
Met -2	-	expression tag
Ile -1	-	expression tag
Ser 0	-	expression tag
Val 1	Met 1	conflict
Gly 137	Asp 137	conflict
Gly 170	Asp 170	conflict

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	466293.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1148.3
All*	Total formula weight	467441.7

*Water molecules are not included.