4QIC

Co-Crystal Structure of Anti-anti-sigma factor PhyR complexed with Anti-sigma factor NepR from Bartonella quintana

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)	Sensory transduction regulatory protein, Anti-anti-sigma factor PhyR	polymer	276	30978.5	2	UniProt (Q6G0Z8) Pfam (PF22029) Pfam (PF22233) Pfam (PF00072) UniProt (by SIFTS) (A0A0M3KKV8)	Bartonella quintana
2	B, D (B, D)	Anti-sigma factor NepR	polymer	81	9450.5	2	UniProt (Q6G0Y8) Pfam (PF18557) UniProt (by SIFTS) (A0A0H3LV19)	Bartonella quintana
3	E, G (A, C)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
4	F (C)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	H, I, J, K (A, B, C, D)	water	water		18.0	229	Chemie (HOH)

Sequence modifications

A, C: 1 - 264 (UniProt: Q6G0Z8)

PDB	External Database	Details
Val 40	Ile 40	conflict
Cys 51	Ser 51	conflict
Leu 265	-	expression tag
Glu 266	-	expression tag
Ala 267	-	expression tag
Gly 268	-	expression tag
Trp 269	-	expression tag
Ser 270	-	expression tag
His 271	-	expression tag
Pro 272	-	expression tag
Gln 273	-	expression tag
Phe 274	-	expression tag
Glu 275	-	expression tag
Lys 276	-	expression tag

B, D: 1 - 67 (UniProt: Q6G0Y8)

PDB	External Database	Details
Met -13	-	expression tag
Gly -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Ser -3	-	expression tag
Gln -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	80858.0
Non-Polymers*	Number of molecules	3
	Total formula weight	298.4
All*	Total formula weight	81156.4

*Water molecules are not included.