4C3X

Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1

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	I, J, K, L, M... (I, J, K, L, M...)	beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose	branched		342.3	12	In PDB BIRD (PRD_900003)		sucrose
3	AA, DB, FA, KA, OA... (B, H, C, D, E...)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	8	Chemie (FAD)
4	GA, PA, V, ZA (C, E, A, G)	SODIUM ION	non-polymer		23.0	4	Chemie (NA)
5	AB, BA, EB, HA, LA... (G, B, H, C, D...)	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
6	BB, CA, CB, DA, EA... (G, B, H, C, D...)	TETRAETHYLENE GLYCOL	non-polymer		194.2	19	Chemie (PG4)
7	HB, IB, JB, KB, LB... (A, B, C, D, E...)	water	water		18.0	2970	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
Branched	Number of molecules	12
	Total formula weight	4107.6
Non-Polymers*	Number of molecules	39
	Total formula weight	10350.3
All*	Total formula weight	456554.7

*Water molecules are not included.