6XI9

X-ray crystal structure of MqnE from Pedobacter heparinus in complex with aminofutalosine and methionine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Aminodeoxyfutalosine synthase	polymer	419	48875.3	2	UniProt (C6XW09) Pfam (PF04055) Pfam (PF19288) In PDB	Pedobacter heparinus (strain ATCC 13125 / DSM 2366 / CIP 104194 / JCM 7457 / NBRC 12017 / NCIMB 9290 / NRRL B-14731 / HIM 762-3)	Aminofutalosine synthase,Menaquinone biosynthetic enzyme MqnE
2	A, B	IRON/SULFUR CLUSTER	non-polymer		351.6	2	Chemie (SF4)
3	A, B	METHIONINE	non-polymer		149.2	2	Chemie (MET)
4	A, B	9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine	non-polymer		413.4	2	Chemie (V47)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	578	Chemie (HOH)

Sequence modifications

A, B: 1 - 397 (UniProt: C6XW09)

PDB	External Database	Details
Met -21	-	initiating methionine
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	97750.5
Non-Polymers*	Number of molecules	7
	Total formula weight	1863.9
All*	Total formula weight	99614.4

*Water molecules are not included.