4H2H

Crystal structure of an enolase (mandalate racemase subgroup, target EFI-502101) from Pelagibaca bermudensis htcc2601, with bound mg and l-4-hydroxyproline betaine (betonicine)

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, E...	Mandelate racemase/muconate lactonizing enzyme	polymer	376	40701.1	8	UniProt (Q0FPQ4) Pfam (PF02746) Pfam (PF13378) In PDB	Pelagibaca bermudensis
2	E, C, H, A, F...	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
3	A, B	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
4	E, C, H, A, F...	(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate	non-polymer		159.2	8	Chemie (0XW)
5	B, G, E, C, H...	IODIDE ION	non-polymer		126.9	61	Chemie (IOD)
6	E, C, D	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
7		water	water		18.0	2066	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 2 - 367 (UniProt: Q0FPQ4)

PDB	External Database	Details
Met -8	-	expression tag
Ala -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Ser 0	-	expression tag
Leu 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	325609.1
Non-Polymers*	Number of molecules	82
	Total formula weight	9681.0
All*	Total formula weight	335290.1

*Water molecules are not included.