4UWQ

Crystal structure of the disulfide-linked complex of the thiosulfodyrolase SoxB with the carrier-protein SoxYZ from Thermus thermophilus

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)	SULFUR OXIDATION PROTEIN SOXB	polymer	562	62664.4	4	UniProt (Q72IT0) Pfam (PF02872)	THERMUS THERMOPHILUS HB27	SOXB
2	B, E, H, K (B, E, H, K)	SOXY PROTEIN	polymer	136	14718.8	4	UniProt (Q72IS6) Pfam (PF13501)	THERMUS THERMOPHILUS HB27	SOXY
3	C, F, I, L (C, F, I, L)	SOXZ	polymer	108	11864.5	4	UniProt (Q72IS7) Pfam (PF08770)	THERMUS THERMOPHILUS HB27
4	M, N, O, P, Q... (A, D, G, J)	MANGANESE (II) ION	non-polymer		54.9	8	Chemie (MN)
5	U, V, W, X (A, G, J, K)	water	water		18.0	11	Chemie (HOH)

Sequence modifications

A, D, G, J: 23 - 573 (UniProt: Q72IT0)

PDB	External Database	Details
Met 12	-	expression tag
Ala 13	-	expression tag
Ser 14	-	expression tag
Trp 15	-	expression tag
Ser 16	-	expression tag
His 17	-	expression tag
Pro 18	-	expression tag
Gln 19	-	expression tag
Phe 20	-	expression tag
Glu 21	-	expression tag
Lys 22	-	expression tag
Cys 175	Trp 175	engineered mutation

B, E, H, K: 29 - 152 (UniProt: Q72IS6)

PDB	External Database	Details
Met 17	-	expression tag
Arg 18	-	expression tag
Gly 19	-	expression tag
Ser 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
His 24	-	expression tag
His 25	-	expression tag
His 26	-	expression tag
Gly 27	-	expression tag
Ser 28	-	expression tag
Arg 88	Lys 88	conflict

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	356990.6
Non-Polymers*	Number of molecules	8
	Total formula weight	439.5
All*	Total formula weight	357430.1

*Water molecules are not included.