sc-PDB

List of CHEMBLId :

This value allows a number of roughly comparable measures of half-maximal response concentration/potency/affinity to be compared on a negative logarithmic scale (e.g., an IC50 measurement of 1nM would have a pChEMBL value of 9).

Uniprot Annotation

Name:	Methyl-coenzyme M reductase I subunit alpha	Methyl-coenzyme M reductase I subunit beta
ID:	MCRA_METTM	MCRB_METTM
AC:	P11558	P11560
Organism:	Methanothermobacter marburgensis
Reign:	Archaea
TaxID:	79929
EC Number:	2.8.4.1

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Chains:

Chain Name:	Percentage of Residues within binding site
A	16 %
D	47 %
E	26 %
F	11 %

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Ligand binding site composition:

B-Factor:	8.347
Number of residues:	19
Including
Standard Amino Acids:	17
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.280	945.000

% Hydrophobic	% Polar
50.36	49.64
According to VolSite

HET Code:	COM
Formula:	C2H5O3S2
Molecular weight:	141.189 g/mol
DrugBank ID:	DB09110
Buried Surface Area:	55.79 %
Polar Surface area:	104.38 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	0
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
30.3824	38.59	-58.7303

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