5RW0

PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z2444997446

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial	polymer	898	100926.1	2	UniProt (Q96HY7) Pfam (PF00676) Pfam (PF02779) Pfam (PF16870)	Homo sapiens (Human)	Dehydrogenase E1 and transketolase domain-containing protein 1
2	C, D, E, H, I (A, B)	1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine	non-polymer		229.3	5	Chemie (WGD)
3	F, J (A, B)	THIAMINE DIPHOSPHATE	non-polymer		425.3	2	Chemie (TPP)
4	G, K, L (A, B)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
5	M, N (A, B)	water	water		18.0	1775	Chemie (HOH)

Sequence modifications

A, B: 45 - 919 (UniProt: Q96HY7)

PDB	External Database	Details
Met 22	-	initiating methionine
His 23	-	expression tag
His 24	-	expression tag
His 25	-	expression tag
His 26	-	expression tag
His 27	-	expression tag
His 28	-	expression tag
Ser 29	-	expression tag
Ser 30	-	expression tag
Gly 31	-	expression tag
Val 32	-	expression tag
Asp 33	-	expression tag
Leu 34	-	expression tag
Gly 35	-	expression tag
Thr 36	-	expression tag
Glu 37	-	expression tag
Asn 38	-	expression tag
Leu 39	-	expression tag
Tyr 40	-	expression tag
Phe 41	-	expression tag
Gln 42	-	expression tag
Ser 43	-	expression tag
Met 44	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	201852.2
Non-Polymers*	Number of molecules	10
	Total formula weight	2070.1
All*	Total formula weight	203922.3

*Water molecules are not included.