7Q2A

Crystal structure of AphC in complex with 4-ethylcatechol

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 (A, B, C, D)	Catechol 2,3-dioxygenase	polymer	381	42633.4	4	UniProt (Q0S9X1)	Rhodococcus jostii (strain RHA1)
2	E, H, K, O (A, B, C, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE) PubChem (29936)
3	F, I, L, M, P... (A, B, C, D)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA) PubChem (271)
4	G, J, N, R (A, B, C, D)	4-ethylbenzene-1,2-diol	non-polymer		138.2	4	Chemie (8RU) PubChem (70761)
5	S, T, U, V (A, B, C, D)	water	water		18.0	815	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 360 (UniProt: Q0S9X1)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	170533.5
Non-Polymers*	Number of molecules	14
	Total formula weight	1016.5
All*	Total formula weight	171550.0

*Water molecules are not included.