7TOL

X-ray crystal structure of glycerol dibiphytanyl glycerol tetraether - macrocyclic archaeol synthase (GDGT-MAS) from Methanocaldococcus jannaschii with archaeal lipid, 5'deoxyadenosine, and methionine bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	glycerol dibiphytanyl glycerol tetraether - macrocyclic archaeol synthase	polymer	526	59735.1	1	UniProt (Q58036) Pfam (PF13353) Pfam (PF04055) In PDB	Methanocaldococcus jannaschii	7,8-dihydro-6-hydroxymethylpterin dimethyltransferase, 6-hydroxymethyl-H(2)pterin dimethyltransferase
2	A	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
3	A	IRON/SULFUR CLUSTER	non-polymer		351.6	3	Chemie (SF4)
4	A	5'-DEOXYADENOSINE	non-polymer		251.2	1	Chemie (5AD)
5	A	METHIONINE	non-polymer		149.2	1	Chemie (MET)
6	A	3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL	non-polymer		733.1	1	Chemie (L1P)
7	A	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
8	A	3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL	non-polymer		807.2	1	Chemie (L4P)
9		water	water		18.0	193	Chemie (HOH)

Sequence modifications

A: 1 - 506 (UniProt: Q58036)

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	1
	Total formula weight	59735.1
Non-Polymers*	Number of molecules	9
	Total formula weight	3201.7
All*	Total formula weight	62936.8

*Water molecules are not included.