8BO1

ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Actin, alpha skeletal muscle, intermediate form	polymer	375	41862.6	2	UniProt (P68135) Pfam (PF00022)	Oryctolagus cuniculus (rabbit)
2	B, D (B, D)	Putative Adenylate cyclase	polymer	413	46247.5	2	UniProt (A0A6N3LUE9) Pfam (PF03497) UniProt (by SIFTS) (A0A9P1NJI6)	Vibrio nigripulchritudo	MARTX toxin
3	E, N (A, C)	LATRUNCULIN B	non-polymer		395.5	2	Chemie (LAB)
4	F, O (A, C)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
5	G, K, M, P, U... (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
6	H, R, X (A, C, D)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
7	I, S (B, D)	3'-DEOXYADENOSINE-5'-TRIPHOSPHATE	non-polymer		491.2	2	Chemie (3AT)
8	AA, J, L, Q, T... (D, B, C)	MANGANESE (II) ION	non-polymer		54.9	8	Chemie (MN)
9	BA, CA, DA, EA, FA... (D)	AZIDE ION	non-polymer		42.0	6	Chemie (AZI)
10	HA, IA (D)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
11	JA, KA, LA, MA (A, B, C, D)	water	water		18.0	216	Chemie (HOH)

Sequence modifications

B, D: 455 - 863 (UniProt: A0A6N3LUE9)

PDB	External Database	Details
Gly 451	-	expression tag
Pro 452	-	expression tag
Gly 453	-	expression tag
Ser 454	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	176220.2
Non-Polymers*	Number of molecules	31
	Total formula weight	3984.3
All*	Total formula weight	180204.5

*Water molecules are not included.