5M45

Structure of Acetone Carboxylase purified from Xanthobacter autotrophicus

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, G, J (A, D, G, J)	Acetone carboxylase alpha subunit	polymer	776	86512.3	4	UniProt (Q8RM03) Pfam (PF02538)	Xanthobacter autotrophicus Py2
2	B, E, H, K (B, E, H, K)	Acetone carboxylase beta subunit	polymer	717	78589.9	4	UniProt (Q8RM04) Pfam (PF05378) Pfam (PF01968) Pfam (PF19278)	Xanthobacter autotrophicus Py2
3	C, F, I, L (C, F, I, L)	Acetone carboxylase gamma subunit	polymer	168	19849.8	4	UniProt (Q8RM02) Pfam (PF08882)	Xanthobacter autotrophicus Py2
4	M, MA, Z, ZA (A, G, D, J)	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN)
5	AA, AB, BA, BB, JA... (D, J, E, K, A...)	ACETATE ION	non-polymer		59.0	12	Chemie (ACT)
6	CA, CB, P, PA (D, J, A, G)	3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL	non-polymer		266.3	4	Chemie (AE4)
7	DA, DB, EA, EB, GA... (D, J, E, K, L...)	MAGNESIUM ION	non-polymer		24.3	24	Chemie (MG)
8	FA, FB, S, SA (E, K, B, H)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	4	Chemie (AMP)
9	KB, LA, Y, YA (L, F, C, I)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
10	MB, NB, OB, PB, QB... (A, B, C, D, E...)	water	water		18.0	4511	Chemie (HOH)

Sequence modifications

A, D, G, J: 1 - 776 (UniProt: Q8RM03)

PDB	External Database	Details
Thr 674	Ala 674	conflict
Ala 675	Gly 675	conflict
Asp 737	Ser 737	conflict

B, E, H, K: 1 - 717 (UniProt: Q8RM04)

PDB	External Database	Details
Met 151	Ile 151	conflict
Val 190	Glu 190	conflict

C, F, I, L: 1 - 168 (UniProt: Q8RM02)

PDB	External Database	Details
His 90	Ser 90	conflict

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	739807.9
Non-Polymers*	Number of molecules	52
	Total formula weight	4227.4
All*	Total formula weight	744035.3

*Water molecules are not included.