4R8H

The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	cAMP-activated global transcriptional regulator CRP	polymer	222	25078.0	2	UniProt (P0ACJ8) Pfam (PF00027) Pfam (PF13545) In PDB	Escherichia coli	Catabolite activator protein, CAP, Catabolite gene activator, cAMP receptor protein, CRP, cAMP regulatory protein
2	A, B	6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL	non-polymer		345.3	4	Chemie (SP1)
3	A, B	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
4		water	water		18.0	255	Chemie (HOH)

Sequence modifications

A, B: 1 - 210 (UniProt: P0ACJ8)

PDB	External Database	Details
Met -11	-	expression tag
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50155.9
Non-Polymers*	Number of molecules	11
	Total formula weight	2025.7
All*	Total formula weight	52181.7

*Water molecules are not included.