Calcium in PDB 6aw7: 2.15A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) From Nannospalax Galili

The structure of 2.15A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) From Nannospalax Galili, PDB code: 6aw7 was solved by S.Lovell, N.Mehzabeen, K.P.Battaile, Y.Deng, R.P.Hanzlik, I.Shams, J.Moskovitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.51 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.353, 86.671, 104.116, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.4

The binding sites of Calcium atom in the 2.15A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) From Nannospalax Galili (pdb code 6aw7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 2.15A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) From Nannospalax Galili, PDB code: 6aw7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 2.15A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) From Nannospalax Galili


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 2.15A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) From Nannospalax Galili within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:30.0 occ:1.00 O A:HOH437 2.3 25.9 1.0 OD2 A:ASP168 2.4 30.4 1.0 OD1 A:ASP140 2.4 27.8 1.0 OD1 A:ASN169 2.4 27.8 1.0 O A:HOH463 2.5 38.3 1.0 O A:HOH461 2.5 27.6 1.0 CG A:ASP140 3.1 36.0 1.0 OD2 A:ASP140 3.1 30.6 1.0 CG A:ASN169 3.3 34.4 1.0 CG A:ASP168 3.4 32.8 1.0 ND2 A:ASN169 3.6 33.0 1.0 CB A:ASP168 4.0 24.7 1.0 NZ A:LYS143 4.2 40.6 1.0 OD1 A:ASP168 4.4 32.0 1.0 CG1 A:VAL42 4.5 41.7 1.0 CB A:ASP140 4.6 30.4 1.0 O A:MET40 4.6 31.7 1.0 O A:HOH476 4.7 46.9 1.0 CB A:ASN169 4.7 31.4 1.0 NZ A:LYS46 4.8 37.2 1.0 O A:ASP140 4.9 30.1 1.0

Calcium binding site 2 out of 2 in the 2.15A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) From Nannospalax Galili


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 2.15A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) From Nannospalax Galili within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:28.4 occ:1.00 O B:HOH463 2.2 33.2 1.0 OD2 B:ASP168 2.3 26.9 1.0 OD1 B:ASN169 2.3 25.8 1.0 OD1 B:ASP140 2.3 24.6 1.0 O B:HOH466 2.5 35.4 1.0 O B:HOH434 2.5 28.6 1.0 OD2 B:ASP140 2.7 27.2 1.0 CG B:ASP140 2.8 29.2 1.0 CG B:ASN169 3.3 28.3 1.0 CG B:ASP168 3.4 32.9 1.0 O B:HOH480 3.4 43.2 1.0 ND2 B:ASN169 3.8 28.3 1.0 O B:HOH469 3.9 36.2 1.0 CB B:ASP168 3.9 26.9 1.0 NZ B:LYS143 4.1 33.8 1.0 CB B:ASP140 4.3 25.5 1.0 OD1 B:ASP168 4.4 24.8 1.0 O B:MET40 4.6 26.8 1.0 CB B:ASN169 4.6 24.6 1.0 O B:ASP140 4.7 26.8 1.0 CA B:VAL42 4.8 27.5 1.0 CB B:SAH302 4.8 23.3 1.0 O B:SAH302 4.9 30.4 1.0 NZ B:LYS46 4.9 37.8 1.0 CB B:VAL42 5.0 32.3 1.0 CA B:ASP140 5.0 22.9 1.0

Y.Deng, S.Lovell, N.Mehzabeen, K.P.Battaile, R.P.Hanzlik, I.Shams, J.Moskovitz. Crystal Structure of the Catechol-O-Methyl Transferase (Comt) Enzyme of the Subterranean Mole Rat (Spalax) and the Effect of L136M Substitution To Be Published.