3I59

Crystal structure of MtbCRP in complex with N6-cAMP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Transcriptional regulator, Crp/Fnr family	polymer	249	27644.2	1	UniProt (O69644) Pfam (PF00027) Pfam (PF13545) UniProt (by SIFTS) (P9WMH3)	Mycobacterium tuberculosis
2	B (B)	Transcriptional regulator, Crp/Fnr family	polymer	249	27597.3	1	UniProt (O69644) Pfam (PF00027) Pfam (PF13545) UniProt (by SIFTS) (P9WMH3)	Mycobacterium tuberculosis
3	C (A)	(2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate	non-polymer		447.4	1	Chemie (N6R)
4	D (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	E (B)	(2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate	non-polymer		447.4	1	Chemie (N6S)
6	F, G (A, B)	water	water		18.0	92	Chemie (HOH)

Sequence modifications

A: 1 - 224 (UniProt: O69644)

PDB	External Database	Details
Met -24	-	expression tag
Gly -23	-	expression tag
Ser -22	-	expression tag
Ser -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

B: 1 - 224 (UniProt: O69644)

PDB	External Database	Details
Met -24	-	expression tag
Gly -23	-	expression tag
Ser -22	-	expression tag
Ser -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	55241.5
Non-Polymers*	Number of molecules	3
	Total formula weight	930.2
All*	Total formula weight	56171.7

*Water molecules are not included.