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

Protein crystallography data

The structure of Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Mm Brw), PDB code: 1mxv 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) 30.00 / 1.95
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.493, 163.286, 47.960, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 24.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 Mm Brw) (pdb code 1mxv). 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 Mm Brw), PDB code: 1mxv:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in 1mxv

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Zinc binding site 1 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 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 10 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn701

b:30.4
occ:1.00
OE2 B:GLU166 2.0 31.3 1.0
OE1 A:GLU42 2.1 27.6 1.0
NE2 A:HIS46 2.2 28.9 1.0
OE1 B:GLU166 2.6 29.6 1.0
CD B:GLU166 2.6 32.4 1.0
CD A:GLU42 3.0 27.4 1.0
CD2 A:HIS46 3.1 28.2 1.0
CE1 A:HIS46 3.1 29.8 1.0
OE2 A:GLU42 3.3 25.0 1.0
O B:HOH816 3.5 20.1 1.0
CG B:GLU166 4.1 28.7 1.0
ND1 A:HIS46 4.2 27.4 1.0
CG A:HIS46 4.2 28.5 1.0
CD2 A:LEU241 4.3 27.7 1.0
N B:SER168 4.3 22.4 1.0
CG A:GLU42 4.4 23.9 1.0
O B:ALA165 4.6 25.7 1.0
CB B:SER168 4.6 21.8 1.0
CB B:GLU166 4.7 28.9 1.0
CB A:GLU42 4.8 19.8 1.0
CA B:SER168 4.8 22.4 1.0
CA B:GLU166 4.9 28.1 1.0
C B:PRO167 5.0 24.6 1.0

Zinc binding site 2 out of 5 in 1mxv

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Zinc binding site 2 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 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 10 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn702

b:37.4
occ:1.00
NE2 B:HIS23 2.1 33.3 1.0
OE1 B:GLU30 2.6 39.5 1.0
OE2 B:GLU30 2.7 39.4 1.0
O B:HOH884 2.8 47.9 1.0
CD2 B:HIS23 2.9 31.7 1.0
CD B:GLU30 3.0 35.8 1.0
CE1 B:HIS23 3.2 32.1 1.0
CD B:LYS20 3.9 32.4 1.0
NZ B:LYS20 4.0 34.3 1.0
CG B:HIS23 4.1 32.1 1.0
ND1 B:HIS23 4.2 32.4 1.0
O B:GLU30 4.3 28.8 1.0
CD1 B:LEU26 4.4 44.9 1.0
CG B:GLU30 4.5 37.5 1.0
CE B:LYS20 4.6 32.7 1.0

Zinc binding site 3 out of 5 in 1mxv

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Zinc binding site 3 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 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 10 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn704

b:30.5
occ:1.00
NE2 B:HIS46 2.1 20.4 1.0
OE1 B:GLU42 2.2 28.1 1.0
O B:HOH773 2.3 35.3 1.0
CD2 B:HIS46 2.9 23.4 1.0
CD B:GLU42 3.1 26.1 1.0
CE1 B:HIS46 3.1 24.2 1.0
OE2 B:GLU42 3.3 27.7 1.0
CD2 B:LEU241 3.7 24.6 1.0
OE1 B:GLN244 3.8 43.7 1.0
CG B:HIS46 4.1 22.0 1.0
ND1 B:HIS46 4.2 25.2 1.0
CG B:GLU42 4.4 23.6 1.0
CD B:GLN244 4.6 40.9 1.0
NE2 B:GLN244 4.6 40.4 1.0
CB B:GLU42 4.8 20.9 1.0

Zinc binding site 4 out of 5 in 1mxv

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Zinc binding site 4 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 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 10 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn703

b:39.5
occ:1.00
OD2 C:ASP65 2.3 32.1 1.0
O C:HOH821 2.4 39.2 1.0
OD1 C:ASP65 2.6 32.5 1.0
CG C:ASP65 2.8 32.7 1.0
OD2 C:ASP67 4.0 44.1 1.0
CB C:ASP67 4.3 41.9 1.0
CB C:ASP65 4.3 31.2 1.0
CG2 C:THR68 4.6 37.2 1.0
CG C:ASP67 4.6 43.4 1.0
N C:ASP67 4.9 40.0 1.0

Zinc binding site 5 out of 5 in 1mxv

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Zinc binding site 5 out of 5 in the Crystal Titration Experiments (Ampa Co-Crystals Soaked in 10 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 10 Mm Brw) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn705

b:68.6
occ:1.00
OE1 C:GLU42 2.5 37.9 1.0
NE2 C:HIS46 2.6 47.1 1.0
CD2 C:HIS46 3.5 46.2 1.0
CD C:GLU42 3.5 37.8 1.0
CE1 C:HIS46 3.6 47.0 1.0
OE1 C:GLN244 3.8 53.5 1.0
OE2 C:GLU42 3.9 39.2 1.0
CD2 C:LEU241 4.0 28.4 1.0
NE2 C:GLN244 4.6 51.8 1.0
CD C:GLN244 4.6 51.2 1.0
ND1 C:HIS46 4.6 46.1 1.0
CG C:HIS46 4.6 45.9 1.0
CG C:GLU42 4.8 34.3 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 22:38:24 2020
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