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Zinc in PDB 1mxy: Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw)

Protein crystallography data

The structure of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw), PDB code: 1mxy was solved by R.Jin, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.39 / 1.95
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.749, 164.009, 47.821, 90.00, 90.00, 90.00
R / Rfree (%) 22.6 / 25.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw) (pdb code 1mxy). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw), PDB code: 1mxy:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in 1mxy

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Zinc binding site 1 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn701

b:30.5
occ:1.00
OE2 B:GLU166 2.0 26.3 1.0
OE1 A:GLU42 2.1 26.8 1.0
NE2 A:HIS46 2.2 29.6 1.0
OE1 B:GLU166 2.6 31.0 1.0
CD B:GLU166 2.6 30.1 1.0
CD A:GLU42 3.0 28.2 1.0
CD2 A:HIS46 3.1 27.5 1.0
CE1 A:HIS46 3.2 31.6 1.0
OE2 A:GLU42 3.3 27.7 1.0
O B:HOH815 3.3 16.9 1.0
CG B:GLU166 4.1 27.6 1.0
CD2 A:LEU241 4.2 28.9 1.0
N B:SER168 4.3 22.1 1.0
CG A:HIS46 4.3 28.2 1.0
CG A:GLU42 4.3 24.4 1.0
ND1 A:HIS46 4.3 29.1 1.0
O B:ALA165 4.7 26.4 1.0
CB B:SER168 4.7 21.7 1.0
CB A:GLU42 4.7 22.2 1.0
CB B:GLU166 4.7 29.0 1.0
CA B:SER168 4.8 22.1 1.0
C B:PRO167 4.9 24.3 1.0
CA B:GLU166 4.9 28.0 1.0
CA B:PRO167 5.0 24.8 1.0

Zinc binding site 2 out of 5 in 1mxy

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Zinc binding site 2 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn702

b:38.1
occ:1.00
NE2 B:HIS23 2.1 27.6 1.0
O B:HOH883 2.3 33.9 1.0
OE2 B:GLU30 2.6 37.5 1.0
OE1 B:GLU30 2.9 40.8 1.0
CE1 B:HIS23 3.1 24.3 1.0
CD2 B:HIS23 3.1 25.4 1.0
CD B:GLU30 3.1 35.7 1.0
CD B:LYS20 3.9 30.6 1.0
NZ B:LYS20 4.1 27.8 1.0
ND1 B:HIS23 4.2 25.4 1.0
CG B:HIS23 4.2 27.9 1.0
O B:GLU30 4.3 27.8 1.0
CG B:GLU30 4.6 36.8 1.0
CE B:LYS20 4.6 30.4 1.0
CD1 B:LEU26 4.7 46.3 1.0

Zinc binding site 3 out of 5 in 1mxy

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Zinc binding site 3 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn704

b:30.1
occ:1.00
NE2 B:HIS46 2.1 24.6 1.0
OE1 B:GLU42 2.2 28.2 1.0
O B:HOH773 2.3 26.3 1.0
CD2 B:HIS46 3.0 25.6 1.0
CD B:GLU42 3.0 28.0 1.0
CE1 B:HIS46 3.1 26.1 1.0
OE2 B:GLU42 3.3 30.4 1.0
CD2 B:LEU241 3.7 21.9 1.0
OE1 B:GLN244 3.7 47.1 1.0
CG B:HIS46 4.2 22.8 1.0
ND1 B:HIS46 4.2 27.6 1.0
CG B:GLU42 4.4 24.1 1.0
CD1 B:LEU246 4.6 33.6 1.0
CD B:GLN244 4.7 44.2 1.0
CB B:GLU42 4.8 20.7 1.0
NE2 B:GLN244 4.9 45.2 1.0

Zinc binding site 4 out of 5 in 1mxy

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Zinc binding site 4 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn703

b:40.8
occ:1.00
OD2 C:ASP65 2.3 36.9 1.0
O C:HOH819 2.3 34.5 1.0
OD1 C:ASP65 2.8 38.5 1.0
CG C:ASP65 2.9 38.5 1.0
OD2 C:ASP67 3.8 50.8 1.0
CB C:ASP67 4.3 46.7 1.0
CB C:ASP65 4.4 36.6 1.0
CG C:ASP67 4.5 49.3 1.0
CG2 C:THR68 4.8 40.9 1.0

Zinc binding site 5 out of 5 in 1mxy

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Zinc binding site 5 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Um Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn705

b:67.9
occ:1.00
OE1 C:GLU42 2.5 38.0 1.0
NE2 C:HIS46 2.5 51.0 1.0
CD2 C:HIS46 3.4 49.2 1.0
CE1 C:HIS46 3.4 50.9 1.0
CD C:GLU42 3.6 37.5 1.0
OE1 C:GLN244 4.0 55.0 1.0
OE2 C:GLU42 4.0 38.6 1.0
CD2 C:LEU241 4.1 31.8 1.0
ND1 C:HIS46 4.5 49.4 1.0
CG C:HIS46 4.6 48.3 1.0
CG C:GLU42 4.8 34.9 1.0
CD C:GLN244 4.9 51.9 1.0
NE2 C:GLN244 5.0 52.8 1.0
CB C:GLU42 5.0 30.9 1.0

Reference:

R.Jin, E.Gouaux. Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GLUR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GLUR2 S1S2 in the Crystal. Biochemistry V. 42 5201 2003.
ISSN: ISSN 0006-2960
PubMed: 12731861
DOI: 10.1021/BI020632T
Page generated: Fri Sep 25 22:38:51 2020
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