7OMD

Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Coelenterazine h 2-monooxygenase	polymer	317	36903.2	2	UniProt (P27652) Pfam (PF00561) In PDB	Renilla reniformis (Sea pansy)	Renilla-luciferin 2-monooxygenase,Renilla-type luciferase
2	A, B	6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one	non-polymer		424.5	4	Chemie (VK8)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	690	Chemie (HOH)

Sequence modifications

A, B: 1 - 311 (UniProt: P27652)

PDB	External Database	Details
Thr 55	Ala 55	conflict
Ala 124	Cys 124	conflict
Ala 130	Ser 130	conflict
Arg 136	Lys 136	conflict
Met 143	Ala 143	conflict
Ala 162	Asp 162	engineered mutation
Val 185	Met 185	conflict
Leu 253	Met 253	conflict
Leu 287	Ser 287	conflict
His 312	-	expression tag
His 313	-	expression tag
His 314	-	expression tag
His 315	-	expression tag
His 316	-	expression tag
His 317	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73806.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1917.5
All*	Total formula weight	75723.8

*Water molecules are not included.