30TW

Crystal structure of Sphingobium lactosutens styrene-oxide isomerase with unknown ligand

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 (A, B, C)	Styrene-oxide isomerase	polymer	188	20747.3	3	UniProt (T0HHY7)	Sphingobium lactosutens
2	AA, BA, CA, D, DA... (B, A, C)	EICOSANE	non-polymer		282.5	31	Chemie (LFA) PubChem (8222)
3	E, JA, NA, QA, S... (A, C, B)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	6	Chemie (OLC) PubChem (11451146)
4	I, M, WA (A, C)	(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	3	Chemie (OLB) PubChem (12178130)
5	EA, IA, P (B, C, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	3	Chemie (HEM)
6	GA, Q (B, A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	HA (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL) PubChem (312)
8	XA, YA, ZA (A, B, C)	water	water		18.0	281	Chemie (HOH)

Sequence modifications

A, B, C: 14 - 181 (UniProt: T0HHY7)

PDB	External Database	Details
Met -6	-	initiating methionine
Gly -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Gly 2	-	expression tag
Leu 3	-	expression tag
Glu 4	-	expression tag
Val 5	-	expression tag
Leu 6	-	expression tag
Phe 7	-	expression tag
Gln 8	-	expression tag
Gly 9	-	expression tag
Pro 10	-	expression tag
Gly 11	-	expression tag
Thr 12	-	expression tag
Met 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	62241.9
Non-Polymers*	Number of molecules	46
	Total formula weight	14044.9
All*	Total formula weight	76286.8

*Water molecules are not included.