9G8C

Crystal structure of the photosensory core module (PCM) of a cyano-phenylalanine mutant oCNF165 of the bathy phytochrome Agp2 from Agrobacterium fabrum in the Pfr state.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	histidine kinase	polymer	507	56603.4	1	UniProt (A9CI81) Pfam (PF08446) Pfam (PF01590) Pfam (PF00360)	Agrobacterium fabrum str. C58
2	B (B)	histidine kinase	polymer	507	56590.4	1	UniProt (A9CI81) Pfam (PF08446) Pfam (PF01590) Pfam (PF00360)	Agrobacterium fabrum str. C58
3	C, G (A, B)	HEXAETHYLENE GLYCOL	non-polymer		282.3	2	Chemie (P6G)
4	D, H (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
5	E, I, J, K, L (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	5	Chemie (PEG)
6	F, M (A, B)	3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid	non-polymer		584.7	2	Chemie (EL5)
7	N, O (B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
8	P, Q (A, B)	water	water		18.0	958	Chemie (HOH)

Sequence modifications

A: 1 - 501 (UniProt: A9CI81)

PDB	External Database	Details
9ij 165	Tyr 165	engineered mutation
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag

B: 1 - 501 (UniProt: A9CI81)

PDB	External Database	Details
9ij 165	Tyr 165	engineered mutation
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	113193.7
Non-Polymers*	Number of molecules	13
	Total formula weight	2571.8
All*	Total formula weight	115765.6

*Water molecules are not included.