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Chlorine in PDB 3kur: Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein

Protein crystallography data

The structure of Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein, PDB code: 3kur was solved by G.Kozlov, K.Gehring, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 146.977, 146.977, 83.055, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 27.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein (pdb code 3kur). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein, PDB code: 3kur:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3kur

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Chlorine binding site 1 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3

b:53.1
occ:1.00
 OG1 A:THR576 2.7 34.9 1.0
N A:THR576 3.6 32.4 1.0
ND1 A:HIS574 3.8 29.3 1.0
CA A:HIS574 3.8 30.4 1.0
CB A:THR576 3.9 33.4 1.0
C A:HIS574 3.9 30.8 1.0
CB A:HIS574 4.0 29.3 1.0
N A:PRO575 4.1 31.1 1.0
CD A:PRO575 4.2 30.8 1.0
CA A:THR576 4.2 33.1 1.0
N A:LEU577 4.3 32.3 1.0
CG A:HIS574 4.4 29.9 1.0
CG A:PRO575 4.5 31.7 1.0
O A:HIS574 4.5 32.0 1.0
CG2 A:THR576 4.5 32.7 1.0
C A:PRO575 4.6 32.1 1.0
C A:THR576 4.7 32.9 1.0
CG A:LEU577 4.8 33.0 1.0
CA A:PRO575 4.9 31.6 1.0
CE1 A:HIS574 4.9 28.6 1.0

Chlorine binding site 2 out of 5 in 3kur

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Chlorine binding site 2 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl5

b:62.0
occ:1.00
 N E:ASN590 3.2 21.1 1.0
NZ B:LYS580 3.2 29.0 1.0
CA E:ASP589 3.5 23.0 1.0
CE B:LYS580 3.5 29.4 1.0
CG E:ASN590 3.7 17.8 1.0
OD1 E:ASN590 3.7 12.9 1.0
CB E:ASP589 3.8 24.3 1.0
C E:ASP589 3.8 22.1 1.0
O E:HOH59 3.9 42.5 1.0
CB E:ASN590 4.1 19.1 1.0
ND2 E:ASN590 4.1 16.8 1.0
CA E:ASN590 4.2 19.3 1.0
NZ E:LYS559 4.3 20.6 1.0
N E:ASP589 4.6 22.1 1.0
O E:ILE588 4.7 21.0 1.0
CD B:LYS580 5.0 26.6 1.0
CE E:LYS559 5.0 19.9 1.0

Chlorine binding site 3 out of 5 in 3kur

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Chlorine binding site 3 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl2

b:62.1
occ:1.00
 OG1 E:THR576 2.9 31.7 1.0
ND1 E:HIS574 3.8 26.5 1.0
N E:THR576 4.0 27.8 1.0
CA E:HIS574 4.0 25.7 1.0
CB E:THR576 4.0 29.5 1.0
CB E:HIS574 4.1 25.6 1.0
CG2 E:THR576 4.2 28.4 1.0
C E:HIS574 4.2 25.6 1.0
N E:PRO575 4.3 25.7 1.0
CD E:PRO575 4.3 25.2 1.0
N E:LEU577 4.3 28.2 1.0
CG E:LEU577 4.4 28.3 1.0
CG E:HIS574 4.4 25.4 1.0
CA E:THR576 4.5 28.6 1.0
CD1 E:LEU577 4.6 26.9 1.0
O E:HIS574 4.7 24.8 1.0
CE1 E:HIS574 4.9 27.1 1.0
CB E:LEU577 4.9 27.3 1.0
C E:THR576 4.9 29.0 1.0
C E:PRO575 5.0 27.1 1.0

Chlorine binding site 4 out of 5 in 3kur

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Chlorine binding site 4 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1

b:67.3
occ:1.00
 O G:HOH75 2.3 56.5 1.0
OG1 G:THR576 2.5 39.9 1.0
N G:THR576 3.5 38.0 1.0
ND1 G:HIS574 3.7 38.1 1.0
CB G:THR576 3.8 38.0 1.0
CA G:THR576 4.1 37.8 1.0
C G:HIS574 4.1 37.9 1.0
N G:PRO575 4.3 38.3 1.0
O G:HIS574 4.3 39.1 1.0
CE1 G:HIS574 4.3 40.7 1.0
N G:LEU577 4.4 34.7 1.0
CD G:PRO575 4.5 38.3 1.0
CA G:HIS574 4.6 36.8 1.0
CG2 G:THR576 4.6 38.7 1.0
C G:PRO575 4.6 38.4 1.0
CG G:HIS574 4.7 37.4 1.0
C G:THR576 4.7 36.6 1.0
CA G:PRO575 4.9 38.4 1.0
CB G:HIS574 4.9 36.5 1.0

Chlorine binding site 5 out of 5 in 3kur

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Chlorine binding site 5 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl4

b:56.1
occ:1.00
 OG1 H:THR576 3.0 35.4 1.0
ND1 H:HIS574 3.9 30.2 1.0
CA H:HIS574 4.1 30.9 1.0
CB H:HIS574 4.1 30.7 1.0
N H:THR576 4.1 33.8 1.0
C H:HIS574 4.2 31.6 1.0
CD H:PRO575 4.3 32.2 1.0
CB H:THR576 4.3 34.8 1.0
N H:PRO575 4.3 32.3 1.0
CD2 H:LEU577 4.5 28.3 1.0
CG H:HIS574 4.5 30.4 1.0
N H:LEU577 4.6 32.7 1.0
CA H:THR576 4.7 34.1 1.0
O H:HIS574 4.7 32.4 1.0
CE1 H:HIS574 5.0 29.5 1.0

Reference:

G.Kozlov, M.Menade, A.Rosenauer, L.Nguyen, K.Gehring. Molecular Determinants of PAM2 Recognition By the Mlle Domain of Poly(A)-Binding Protein. J.Mol.Biol. V. 397 397 2010.
ISSN: ISSN 0022-2836
PubMed: 20096703
DOI: 10.1016/J.JMB.2010.01.032
Page generated: Sat Jul 20 22:51:12 2024

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