3GFX

Klebsiella pneumoniae BlrP1 pH 4.5 calcium/cy-diGMP complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Klebsiella pneumoniae BlrP1	polymer	413	45934.8	2	UniProt (A6T8V8)	Klebsiella pneumoniae subsp. pneumoniae MGH 78578
2	C, F (A, B)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN) PubChem (710) PubChem (8965) PubChem (23585816) PubChem (643976) PubChem (51435500) PubChem (51435503) PubChem (5702760) PubChem (7048779) PubChem (7048781) PubChem (15559251)
3	D, G (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	2	Chemie (C2E) PubChem (135440063) PubChem (135566344) PubChem (136437725) PubChem (136465801) PubChem (136503951) PubChem (146177770) PubChem (135566464) PubChem (135625254) PubChem (135867623) PubChem (135975628) PubChem (136177399) PubChem (136443483) PubChem (137221491) PubChem (137295286) PubChem (148921766) PubChem (148921769) PubChem (173716374) PubChem (174009991) PubChem (164708340) PubChem (168270823)
4	E, H (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA) PubChem (271)
5	I, J (A, B)	water	water		18.0	406	Chemie (HOH)

Sequence modifications

A, B: 1 - 405 (UniProt: A6T8V8)

PDB	External Database	Details
Ile -7	-	expression tag
Ser -6	-	expression tag
Glu -5	-	expression tag
Phe -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
Arg 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91869.7
Non-Polymers*	Number of molecules	6
	Total formula weight	2373.7
All*	Total formula weight	94243.3

*Water molecules are not included.