7VZZ

The structure of GdmN in complex with the natural tetrahedral intermediate, carbamoyl adenylate, and 20-O-methyl-19-chloroproansamitocin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	GdmN	polymer	702	76537.0	2	UniProt (Q84G19) Pfam (PF02543) Pfam (PF16861) In PDB	Streptomyces hygroscopicus
2	A, B	1,2-ETHANEDIOL	non-polymer		62.1	13	Chemie (EDO)
3	A	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl]oxy]-oxidanyl-methyl] hydrogen phosphate	non-polymer		882.3	1	Chemie (8CW)
4	A, B	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
5	A, B	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
6	B	5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine	non-polymer		390.2	1	Chemie (CA0)
7	B	(5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione	non-polymer		492.0	1	Chemie (83Z)
8		water	water		18.0	16	Chemie (HOH)

Sequence modifications

A, B: 1 - 682 (UniProt: Q84G19)

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	153074.0
Non-Polymers*	Number of molecules	25
	Total formula weight	3355.5
All*	Total formula weight	156429.5

*Water molecules are not included.