30KS

Structure of the Ancestral Haloarchaeal (Anc80) Malate dehydrogenase with chloride and potassium ions.

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... (A, B, D, C, E...)	Malate dehydrogenase	polymer	304	32575.5	8	UniProt (A0A4D6KBI5)	synthetic construct
2	AB, I, J, KA, PA... (H, A, E, F, D)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	7	Chemie (MPD) PubChem (5288834)
3	AA, BB, CB, DB, EA... (D, H, C, A, E...)	POTASSIUM ION	non-polymer		39.1	25	Chemie (K) PubChem (813)
4	BA, CA, DA, FB, GB... (D, H, C, A, E...)	CHLORIDE ION	non-polymer		35.5	19	Chemie (CL) PubChem (312)
5	HB, IB, JB, KB, LB... (A, B, D, C, E...)	water	water		18.0	1892	Chemie (HOH)

Sequence modifications

A, B, D, C, E, F, G, H: 1 - 303 (UniProt: A0A4D6KBI5)

PDB	External Database	Details
Leu 21	Ile 21	conflict
Phe 32	Tyr 32	conflict
Val 61	Ile 61	conflict
Gly 65	Thr 65	conflict
Glu 101	Asp 101	conflict
Ser 158	Ala 158	conflict
Gln 159	Glu 159	conflict
Ala 163	Thr 163	conflict
Pro 164	Glu 164	conflict
Val 189	Ile 189	conflict
Thr 192	Ala 192	conflict
Glu 195	Asp 195	conflict
Glu 203	Ala 203	conflict
Asp 207	Glu 207	conflict
Gln 223	Glu 223	conflict
His 239	Arg 239	conflict
Asp 259	Gly 259	conflict
Asn 271	Asp 271	conflict
Asp 290	Ala 290	conflict
Asp 291	Glu 291	conflict
Ala 293	Ser 293	conflict
Ser 297	Ala 297	conflict
Asp 298	Glu 298	conflict
Ala 304	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	260604.4
Non-Polymers*	Number of molecules	51
	Total formula weight	2478.3
All*	Total formula weight	263082.7

*Water molecules are not included.