9IGQ

Crystal structure of PPK2 class III from Erysipelotrichaceae bacterium in complex with AppCH2p and polyphosphate

This is a non-PDB format compatible entry.

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)	Polyphosphate--nucleotide phosphotransferase	polymer	306	36625.2	4	UniProt (A0A3D5XRJ5) Pfam (PF03976)	Erysipelotrichaceae bacterium
2	E, L, R, X (A, B, C, D)	PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER	non-polymer		505.2	4	Chemie (ACP)
3	F, M (A, B)	bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate	non-polymer		897.8	2	Chemie (6YY)
4	G (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	H, U (A, C)	BENZOIC ACID	non-polymer		122.1	2	Chemie (BEZ)
6	AA, BA, I, J, K... (D, A, B, C)	MAGNESIUM ION	non-polymer		24.3	10	Chemie (MG)
7	N, T, Z (B, C, D)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
8	S, Y (C, D)	bis[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl] hydrogen phosphate	non-polymer		577.9	2	Chemie (A1I4D)
9	CA, DA, EA, FA (A, B, C, D)	water	water		18.0	1008	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 298 (UniProt: A0A3D5XRJ5)

PDB	External Database	Details
Ala 2	Ile 2	engineered mutation
Leu 299	-	expression tag
Glu 300	-	expression tag
His 301	-	expression tag
His 302	-	expression tag
His 303	-	expression tag
His 304	-	expression tag
His 305	-	expression tag
His 306	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	146501.0
Non-Polymers*	Number of molecules	24
	Total formula weight	5906.1
All*	Total formula weight	152407.1

*Water molecules are not included.