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Zinc in PDB 1mxw: Crystal Titration Experiments (Ampa Co-Crystals Soaked in 1 Mm Brw)

Protein crystallography data

The structure of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 1 Mm Brw), PDB code: 1mxw 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) 28.59 / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.355, 163.687, 48.018, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 25.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 1 Mm Brw) (pdb code 1mxw). 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 1 Mm Brw), PDB code: 1mxw:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in 1mxw

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Zinc binding site 1 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 1 Mm 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 1 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn701

b:31.1
occ:1.00
OE2 B:GLU166 2.0 30.4 1.0
OE1 A:GLU42 2.1 28.4 1.0
NE2 A:HIS46 2.2 31.4 1.0
OE1 B:GLU166 2.6 30.8 1.0
CD B:GLU166 2.6 32.0 1.0
CD2 A:HIS46 3.0 30.8 1.0
CD A:GLU42 3.0 28.4 1.0
CE1 A:HIS46 3.3 33.0 1.0
OE2 A:GLU42 3.3 27.9 1.0
O B:HOH816 3.4 16.0 1.0
CG B:GLU166 4.1 29.2 1.0
CG A:HIS46 4.2 30.7 1.0
CD2 A:LEU241 4.3 29.4 1.0
N B:SER168 4.3 22.3 1.0
ND1 A:HIS46 4.3 28.7 1.0
CG A:GLU42 4.3 25.0 1.0
O B:ALA165 4.6 27.9 1.0
CB B:SER168 4.7 22.1 1.0
CB B:GLU166 4.7 28.8 1.0
CB A:GLU42 4.8 21.7 1.0
CA B:SER168 4.8 24.0 1.0
C B:PRO167 4.9 24.4 1.0
CA B:GLU166 5.0 28.5 1.0
CA B:PRO167 5.0 26.4 1.0

Zinc binding site 2 out of 5 in 1mxw

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Zinc binding site 2 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 1 Mm 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 1 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn702

b:43.7
occ:1.00
NE2 B:HIS23 2.2 37.1 1.0
O B:HOH884 2.4 43.6 1.0
OE2 B:GLU30 2.7 42.5 1.0
OE1 B:GLU30 2.7 44.9 1.0
CD2 B:HIS23 3.0 36.0 1.0
CD B:GLU30 3.1 40.5 1.0
CE1 B:HIS23 3.3 35.5 1.0
CD B:LYS20 4.0 36.9 1.0
NZ B:LYS20 4.1 36.7 1.0
CG B:HIS23 4.2 36.6 1.0
O B:GLU30 4.3 33.9 1.0
ND1 B:HIS23 4.3 36.6 1.0
CD1 B:LEU26 4.6 50.6 1.0
CG B:GLU30 4.6 41.6 1.0
CE B:LYS20 4.7 37.5 1.0

Zinc binding site 3 out of 5 in 1mxw

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Zinc binding site 3 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 1 Mm 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 1 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn704

b:32.6
occ:1.00
NE2 B:HIS46 2.1 25.4 1.0
OE1 B:GLU42 2.2 30.0 1.0
O B:HOH773 2.3 40.5 1.0
CD2 B:HIS46 2.9 27.4 1.0
CD B:GLU42 3.1 28.4 1.0
CE1 B:HIS46 3.3 28.4 1.0
OE2 B:GLU42 3.4 29.4 1.0
OE1 B:GLN244 3.6 46.4 1.0
CD2 B:LEU241 3.7 24.3 1.0
CG B:HIS46 4.2 25.6 1.0
ND1 B:HIS46 4.3 29.8 1.0
CG B:GLU42 4.4 24.9 1.0
CD B:GLN244 4.6 43.5 1.0
NE2 B:GLN244 4.7 44.0 1.0
CB B:GLU42 4.7 21.4 1.0
CD1 B:LEU246 4.9 35.1 1.0

Zinc binding site 4 out of 5 in 1mxw

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Zinc binding site 4 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 1 Mm 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 1 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn703

b:38.1
occ:1.00
OD2 C:ASP65 2.2 30.9 1.0
O C:HOH820 2.5 44.0 1.0
OD1 C:ASP65 2.8 30.7 1.0
CG C:ASP65 2.8 32.8 1.0
OD2 C:ASP67 4.0 49.7 1.0
CB C:ASP65 4.3 32.6 1.0
CB C:ASP67 4.4 46.1 1.0
CG2 C:THR68 4.7 40.8 1.0
CG C:ASP67 4.7 48.5 1.0
N C:ASP67 5.0 43.4 1.0

Zinc binding site 5 out of 5 in 1mxw

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Zinc binding site 5 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 1 Mm 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 1 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn705

b:70.0
occ:1.00
OE1 C:GLU42 2.4 42.9 1.0
NE2 C:HIS46 2.5 51.7 1.0
CE1 C:HIS46 3.5 51.9 1.0
CD C:GLU42 3.5 42.1 1.0
CD2 C:HIS46 3.5 50.7 1.0
OE2 C:GLU42 3.9 43.9 1.0
OE1 C:GLN244 4.1 52.3 1.0
CD2 C:LEU241 4.1 32.8 1.0
ND1 C:HIS46 4.6 50.5 1.0
NE2 C:GLN244 4.6 52.1 1.0
CG C:HIS46 4.6 49.9 1.0
CD C:GLN244 4.7 51.1 1.0
CG C:GLU42 4.8 39.2 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 22:38:42 2020
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