5RVW

PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z1587220559

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial	polymer	898	100926.1	2	UniProt (Q96HY7) Pfam (PF00676) Pfam (PF02779) Pfam (PF16870) In PDB	Homo sapiens (Human)	Dehydrogenase E1 and transketolase domain-containing protein 1
2	A, B	THIAMINE DIPHOSPHATE	non-polymer		425.3	2	Chemie (TPP)
3	A, B	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	B	2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol	non-polymer		239.3	1	Chemie (T1J)
5		water	water		18.0	1802	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	6
	Total formula weight	1162.8
All*	Total formula weight	203015.0

*Water molecules are not included.