2DM5

Thermodynamic Penalty Arising From Burial of a Ligand Polar Group Within a Hydrophobic Pocket of a Protein Receptor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Major Urinary Protein	polymer	174	20139.4	1	UniProt (P11589) Pfam (PF00061) In PDB	Mus musculus (house mouse)
2	A	CADMIUM ION	non-polymer		112.4	4	Chemie (CD)
3	A	OCTANE-1,8-DIOL	non-polymer		146.2	1	Chemie (ODI)
4		water	water		18.0	174	Chemie (HOH)

Sequence modifications

A: 1 - 162 (UniProt: P11589)

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	1
	Total formula weight	20139.4
Non-Polymers*	Number of molecules	5
	Total formula weight	595.9
All*	Total formula weight	20735.3

*Water molecules are not included.