8ED4

Structure of the complex between the arsenite oxidase and its native electron acceptor cytochrome c552 from Pseudorhizobium sp. str. NT-26

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G	AroA	polymer	844	93250.4	4	UniProt (Q6VAL8) Pfam (PF18465) Pfam (PF00384) Pfam (PF01568) In PDB	Pseudorhizobium banfieldiae	Arsenite oxidase large subunit AioA [3Fe-4S] cluster,Mo-molybdopterin cofactor-binding active site
2	B, D, F, H	AroB	polymer	162	17466.2	4	UniProt (Q6VAL9) Pfam (PF00355) In PDB	Pseudorhizobium banfieldiae
3	I, J, K, L	C-type cytochrome c552	polymer	117	12736.5	4	UniProt (Q2TV05) Pfam (PF00034) In PDB	Pseudorhizobium banfieldiae
4	E, G, A, C	2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE	non-polymer		740.6	8	Chemie (MGD)
5	E, G, A, C	MOLYBDENUM(IV) ION	non-polymer		95.9	4	Chemie (4MO)
6	E, G, A, C	FE3-S4 CLUSTER	non-polymer		295.8	4	Chemie (F3S)
7	E, G, A, C	OXYGEN ATOM	non-polymer		16.0	4	Chemie (O)
8	F, H, B, D	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	4	Chemie (FES)
9	L, I, J	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	3	Chemie (HEM)
10	E	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
11	E, G	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
12	K	HEME C	non-polymer		618.5	1	Chemie (HEC)
13		water	water		18.0	1749	Chemie (HOH)

Sequence modifications

B, D, F, H: 41 - 175 (UniProt: Q6VAL9)

PDB	External Database	Details
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
Asp 20	-	expression tag
Tyr 21	-	expression tag
Asp 22	-	expression tag
Ile 23	-	expression tag
Pro 24	-	expression tag
Thr 25	-	expression tag
Thr 26	-	expression tag
Glu 27	-	expression tag
Asn 28	-	expression tag
Leu 29	-	expression tag
Tyr 30	-	expression tag
Phe 31	-	expression tag
Gln 32	-	expression tag
Gly 33	-	expression tag
Ala 34	-	expression tag
Met 35	-	expression tag
Gly 36	-	expression tag
Ser 37	-	expression tag
Gly 38	-	expression tag
Ile 39	-	expression tag
Gln 40	-	expression tag

I, J, K, L: 21 - 127 (UniProt: Q2TV05)

PDB	External Database	Details
Met 19	-	initiating methionine
Asp 20	-	expression tag
Leu 128	-	expression tag
Glu 129	-	expression tag
His 130	-	expression tag
His 131	-	expression tag
His 132	-	expression tag
His 133	-	expression tag
His 134	-	expression tag
His 135	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	493812.5
Non-Polymers*	Number of molecules	31
	Total formula weight	11207.2
All*	Total formula weight	505019.7

*Water molecules are not included.