5W27

Crystal structure of TnmS3 in complex with tiancimycin (TNM B)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Glyoxalase/bleomycin resisance protein/dioxygenase	polymer	144	15515.3	2	UniProt (A0A125SA29) Pfam (PF00903) In PDB	Streptomyces sp. CB03234
2	A, B	methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate	non-polymer		493.5	2	Chemie (9VG)
3		water	water		18.0	202	Chemie (HOH)

Sequence modifications

A, B: 1 - 124 (UniProt: A0A125SA29)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -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
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	31030.7
Non-Polymers*	Number of molecules	2
	Total formula weight	986.9
All*	Total formula weight	32017.6

*Water molecules are not included.