6T0H

Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	CYP124 in complex with inhibitor carbethoxyhexyl imidazole	polymer	435	48838.9	1	UniProt (P9WPP3) Pfam (PF00067) In PDB	Mycobacterium tuberculosis H37Rv
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	1-alpha-hydroxy-vitamin D3	non-polymer		400.6	1	Chemie (M9B)
4	A	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	A	TRIETHYLENE GLYCOL	non-polymer		150.2	6	Chemie (PGE)
6	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	A	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
8		water	water		18.0	725	Chemie (HOH)

Sequence modifications

A: 1 - 428 (UniProt: P9WPP3)

PDB	External Database	Details
Met -6	-	initiating methionine
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48838.9
Non-Polymers*	Number of molecules	17
	Total formula weight	2441.5
All*	Total formula weight	51280.4

*Water molecules are not included.