6PD2

PntC-AEPT: fusion protein of phosphonate-specific cytidylyltransferase and 2-aminoethylphosphonate (AEP) transaminase from Treponema denticola in complex with cytidine monophosphate-AEP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Nucleotidyl transferase/aminotransferase, class V	polymer	624	70148.7	4	UniProt (Q73MU2) Pfam (PF12804) Pfam (PF00266)	Treponema denticola (strain ATCC 35405 / CIP 103919 / DSM 14222)
2	E, JA, W, YA (A, C, B, D)	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	4	Chemie (PLP)
3	F, G, KA, SA, X... (A, C, B, D)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
4	AB, DA, FB, H, HA... (D, B, A, C)	PHOSPHATE ION	non-polymer		95.0	11	Chemie (PO4)
5	AA, BB, I, MA (B, D, A, C)	5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine	non-polymer		430.2	4	Chemie (0RC)
6	BA, CA, CB, DB, EB... (B, D, A, C)	1,2-ETHANEDIOL	non-polymer		62.1	27	Chemie (EDO)
7	IA, K, S (C, A)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
8	EA, GA (B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
9	LB, MB, NB, OB (A, B, C, D)	water	water		18.0	1447	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 616 (UniProt: Q73MU2)

PDB	External Database	Details
Leu 617	-	expression tag
Glu 618	-	expression tag
His 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag
His 622	-	expression tag
His 623	-	expression tag
His 624	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	280594.7
Non-Polymers*	Number of molecules	59
	Total formula weight	5985.8
All*	Total formula weight	286580.5

*Water molecules are not included.