4URS

Crystal Structure of GGDEF domain from T.maritima

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	DIGUANYLATE CYCLASE	polymer	188	21841.1	2	UniProt (Q9X2A8) Pfam (PF00990) In PDB	THERMOTOGA MARITIMA
2	A, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
3	A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
4	A, B	9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)	non-polymer		690.4	4	Chemie (C2E)
5		water	water		18.0	93	Chemie (HOH)

Sequence modifications

A, B: 82 - 248 (UniProt: Q9X2A8)

PDB	External Database	Details
Met 61	-	expression tag
Gly 62	-	expression tag
Ser 63	-	expression tag
Ser 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag
His 67	-	expression tag
His 68	-	expression tag
His 69	-	expression tag
His 70	-	expression tag
Ser 71	-	expression tag
Ser 72	-	expression tag
Gly 73	-	expression tag
Leu 74	-	expression tag
Val 75	-	expression tag
Pro 76	-	expression tag
Arg 77	-	expression tag
Gly 78	-	expression tag
Ser 79	-	expression tag
His 80	-	expression tag
Met 81	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43682.2
Non-Polymers*	Number of molecules	8
	Total formula weight	3233.2
All*	Total formula weight	46915.4

*Water molecules are not included.