4C3Y

Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione

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, D, E... (A, B, C, D, E...)	3-KETOSTEROID DEHYDROGENASE	polymer	530	55262.1	8	UniProt (Q9RA02) Pfam (PF00890)	RHODOCOCCUS ERYTHROPOLIS	3-KETOSTEROID DELTA1-DEHYDROGENASE
2	CA, FA, I, M, P... (G, H, A, B, C...)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	8	Chemie (FAD)
3	DA, J, Q, W (G, A, C, E)	SODIUM ION	non-polymer		23.0	4	Chemie (NA)
4	AA, GA, K, N, T... (F, H, A, B, D...)	TETRAETHYLENE GLYCOL	non-polymer		194.2	6	Chemie (PG4)
5	BA, EA, HA, L, O... (F, G, H, A, B...)	ANDROSTA-1,4-DIENE-3,17-DIONE	non-polymer		284.4	8	Chemie (ANB)
6	IA, JA, KA, LA, MA... (A, B, C, D, E...)	water	water		18.0	1414	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 510 (UniProt: Q9RA02)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	442096.9
Non-Polymers*	Number of molecules	26
	Total formula weight	9816.9
All*	Total formula weight	451913.7

*Water molecules are not included.