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, beta subunit
ID:	MCRA_METKA	Q49601_9EURY
AC:	Q49605	Q49601
Organism:	Methanopyrus kandleri
Reign:	Archaea
TaxID:	190192	2320
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	44 %
D	17 %
B	28 %
C	11 %

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Ligand binding site composition:

B-Factor:	20.326
Number of residues:	20
Including
Standard Amino Acids:	18
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.028	327.375

% Hydrophobic	% Polar
43.30	56.70
According to VolSite

HET Code:	COM
Formula:	C2H5O3S2
Molecular weight:	141.189 g/mol
DrugBank ID:	DB09110
Buried Surface Area:	53.94 %
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
65.7424	9.49386	109.196

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