Calcium in PDB 6w25: Crystal Structure of the Melanocortin-4 Receptor (MC4R) in Complex with SHU9119

The structure of Crystal Structure of the Melanocortin-4 Receptor (MC4R) in Complex with SHU9119, PDB code: 6w25 was solved by J.Yu, L.E.Gimenez, C.C.Hernandez, Y.Wu, A.H.Wein, G.W.Han, K.Mcclary, S.R.Mittal, K.Burdsall, B.Stauch, L.Wu, S.N.Stevens, A.Peisley, S.Y.Williams, V.Chen, G.L.Millhauser, S.Zhao, R.D.Cone, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.65 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	163.910, 44.490, 88.050, 90.00, 97.47, 90.00
R / Rfree (%)	23.3 / 25.9

The binding sites of Calcium atom in the Crystal Structure of the Melanocortin-4 Receptor (MC4R) in Complex with SHU9119 (pdb code 6w25). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Melanocortin-4 Receptor (MC4R) in Complex with SHU9119, PDB code: 6w25:

Calcium binding site 1 out of 1 in the Crystal Structure of the Melanocortin-4 Receptor (MC4R) in Complex with SHU9119


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Melanocortin-4 Receptor (MC4R) in Complex with SHU9119 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2101 b:84.9 occ:1.00 OE2 A:GLU100 2.2 86.8 1.0 O B:4J25 2.3 70.0 1.0 OD1 A:ASP122 2.3 0.7 1.0 O B:ASP3 2.6 76.8 1.0 OD1 A:ASP126 2.6 83.5 1.0 OD2 A:ASP126 2.7 90.8 1.0 CG A:ASP126 3.0 83.9 1.0 CG A:ASP122 3.3 0.9 1.0 CD A:GLU100 3.4 94.8 1.0 C B:4J25 3.4 69.8 1.0 OD2 A:ASP122 3.6 0.3 1.0 C B:ASP3 3.8 78.2 1.0 N B:4J25 3.8 72.3 1.0 CA B:4J25 4.0 69.8 1.0 OE1 A:GLU100 4.0 86.6 1.0 C B:HIS4 4.2 74.5 1.0 CB B:4J25 4.4 67.5 1.0 CG A:GLU100 4.4 80.5 1.0 O A:ASP122 4.5 90.2 1.0 N B:ARG6 4.5 69.7 1.0 CB A:ASP126 4.6 74.3 1.0 N B:HIS4 4.6 77.6 1.0 CB A:ASP122 4.6 93.4 1.0 O B:HIS4 4.6 74.4 1.0 O B:HOH104 4.6 77.0 1.0 N B:ASP3 4.6 82.5 1.0 CA B:HIS4 4.6 77.0 1.0 CA B:ASP3 4.8 80.4 1.0 CA B:ARG6 4.9 70.7 1.0 CA A:ASP122 5.0 91.2 1.0 NE B:ARG6 5.0 73.3 1.0

J.Yu, L.E.Gimenez, C.C.Hernandez, Y.Wu, A.H.Wein, G.W.Han, K.Mcclary, S.R.Mittal, K.Burdsall, B.Stauch, L.Wu, S.N.Stevens, A.Peisley, S.Y.Williams, V.Chen, G.L.Millhauser, S.Zhao, R.D.Cone, R.C.Stevens. Determination of the Melanocortin-4 Receptor Structure Identifies CA2+ As A Cofactor For Ligand Binding To Be Published.