Zinc in PDB 1m5f: X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution

The structure of X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution, PDB code: 1m5f was solved by A.Hogner, J.S.Kastrup, R.Jin, T.Liljefors, M.L.Mayer, J.Egebjerg, I.K.Larsen, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.88 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	113.744, 163.400, 47.084, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23

The binding sites of Zinc atom in the X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution (pdb code 1m5f). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution, PDB code: 1m5f:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1204 b:34.2 occ:1.00 NE2 A:HIS23 2.1 26.2 1.0 O A:HOH1420 2.1 31.0 1.0 CD2 A:HIS23 2.9 25.4 1.0 CE1 A:HIS23 3.2 25.8 1.0 O A:HOH1392 3.5 48.0 1.0 CG A:HIS23 4.1 26.0 1.0 ND1 A:HIS23 4.2 25.4 1.0 O A:HOH1418 4.5 56.6 1.0 CB A:MET19 4.7 26.9 1.0 CG A:MET19 4.9 28.2 1.0

Zinc binding site 2 out of 6 in the X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1205 b:23.9 occ:1.00 OE1 B:GLU166 1.9 24.6 1.0 OE1 A:GLU42 2.0 23.1 1.0 NE2 A:HIS46 2.2 26.3 1.0 OE2 B:GLU166 2.5 26.2 1.0 CD B:GLU166 2.5 26.3 1.0 CD A:GLU42 2.9 25.6 1.0 CD2 A:HIS46 3.0 26.3 1.0 CE1 A:HIS46 3.2 28.3 1.0 OE2 A:GLU42 3.2 24.4 1.0 ZN B:ZN1209 3.3 40.3 1.0 CG B:GLU166 4.0 26.0 1.0 CD2 A:LEU241 4.0 26.6 1.0 CG A:HIS46 4.2 25.9 1.0 N B:SER168 4.2 21.3 1.0 O B:HOH1342 4.2 44.0 1.0 ND1 A:HIS46 4.3 24.6 1.0 CG A:GLU42 4.3 23.8 1.0 CB B:SER168 4.6 21.4 1.0 CB B:GLU166 4.7 24.9 1.0 O B:ALA165 4.7 23.1 1.0 CA B:SER168 4.7 22.2 1.0 CB A:GLU42 4.8 20.2 1.0 CA B:GLU166 4.9 25.6 1.0 C B:PRO167 5.0 23.6 1.0

Zinc binding site 3 out of 6 in the X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1206 b:25.8 occ:1.00 NE2 B:HIS23 2.0 20.3 1.0 OE2 B:GLU30 2.0 26.0 1.0 CD B:GLU30 2.8 22.1 1.0 CD2 B:HIS23 3.0 19.5 1.0 OE1 B:GLU30 3.0 21.6 1.0 CE1 B:HIS23 3.0 21.4 1.0 NZ B:LYS20 3.9 22.7 1.0 CD B:LYS20 4.0 22.1 1.0 ND1 B:HIS23 4.1 20.6 1.0 CG B:HIS23 4.1 20.5 1.0 CG B:GLU30 4.3 23.9 1.0 O B:GLU30 4.4 22.2 1.0 CE B:LYS20 4.6 23.1 1.0 CD2 B:LEU26 4.7 35.1 1.0

Zinc binding site 4 out of 6 in the X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1207 b:28.9 occ:1.00 NE2 B:HIS46 1.9 19.6 1.0 O B:HOH1529 1.9 30.7 1.0 OE1 B:GLU42 2.1 26.4 1.0 CE1 B:HIS46 2.8 24.9 1.0 CD B:GLU42 2.9 25.1 1.0 CD2 B:HIS46 3.0 23.2 1.0 OE2 B:GLU42 3.2 24.6 1.0 CD2 B:LEU241 3.6 19.1 1.0 NZ B:LYS45 3.7 27.6 1.0 CE B:LYS45 3.7 27.5 1.0 OE1 B:GLN244 3.8 34.6 1.0 ND1 B:HIS46 4.0 24.0 1.0 CG B:HIS46 4.1 23.0 1.0 CG B:GLU42 4.3 21.2 1.0 CB B:GLU42 4.7 20.1 1.0 O B:HOH1488 4.7 46.7 1.0 CD B:GLN244 4.7 33.6 1.0 NE2 B:GLN244 4.9 35.4 1.0

Zinc binding site 5 out of 6 in the X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1209 b:40.3 occ:1.00 O B:HOH1342 2.3 44.0 1.0 OXT B:ACT1203 3.2 46.6 1.0 ZN B:ZN1205 3.3 23.9 1.0 O B:HOH1216 3.4 20.5 1.0 CB B:SER168 3.9 21.4 1.0 OG B:SER168 3.9 23.0 1.0 OE2 B:GLU166 3.9 26.2 1.0 NE2 A:HIS46 4.0 26.3 1.0 CE1 A:HIS46 4.2 28.3 1.0 CA B:SER168 4.3 22.2 1.0 O B:HOH1243 4.4 22.8 1.0 C B:ACT1203 4.4 46.5 1.0 O B:ALA165 4.6 23.1 1.0 CD B:GLU166 4.6 26.3 1.0 OE1 B:GLU166 4.6 24.6 1.0 NZ A:LYS45 4.7 42.8 1.0 CG A:LYS45 4.8 34.6 1.0 OE1 A:GLU42 4.8 23.1 1.0 CD2 A:HIS46 4.8 26.3 1.0 N B:SER168 4.8 21.3 1.0 O B:ACT1203 4.9 47.1 1.0 O B:ARG163 5.0 27.4 1.0

Zinc binding site 6 out of 6 in the X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of X-Ray Structure of the GLUR2 Ligand Binding Core (S1S2J-Y702F) in Complex with Acpa at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1208 b:46.6 occ:1.00 NE2 C:HIS46 2.2 40.1 1.0 OE1 C:GLU42 2.2 32.1 1.0 CE1 C:HIS46 3.0 40.4 1.0 CD C:GLU42 3.2 31.7 1.0 CD2 C:HIS46 3.2 38.2 1.0 OE2 C:GLU42 3.5 36.0 1.0 NZ C:LYS45 3.6 43.4 1.0 CE C:LYS45 3.7 40.0 1.0 O C:HOH1441 3.8 53.4 1.0 CD2 C:LEU241 4.0 25.6 1.0 ND1 C:HIS46 4.2 38.1 1.0 CG C:HIS46 4.3 36.7 1.0 CG C:GLU42 4.5 29.6 1.0 OE1 C:GLN244 4.7 47.1 1.0 CB C:GLU42 4.8 24.9 1.0

A.Hogner, J.S.Kastrup, R.Jin, T.Liljefors, M.L.Mayer, J.Egebjerg, I.K.Larsen, E.Gouaux. Structural Basis For Ampa Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GLUR2 Ligand-Binding Core J.Mol.Biol. V. 322 93 2002.
ISSN: ISSN 0022-2836
PubMed: 12215417
DOI: 10.1016/S0022-2836(02)00650-2