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Nickel in PDB 7ad5: Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans

Protein crystallography data

The structure of Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans, PDB code: 7ad5 was solved by N.Lazar, C.Mesarich, Y.Petit-Houdenot, N.Talbi, I.Li De La Sierra-Gallay, E.Zelie, K.Blondeau, J.Gracy, B.Ollivier, A.Van De Wouw, M.H.Balesdent, A.Idnurm, H.Van Tilbeurgh, I.Fudal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.34 / 2.14
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.24, 57.24, 119.53, 90, 90, 90
R / Rfree (%) 22.3 / 27.6

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans (pdb code 7ad5). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans, PDB code: 7ad5:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in 7ad5

Go back to Nickel Binding Sites List in 7ad5
Nickel binding site 1 out of 3 in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni201

b:76.4
occ:1.00
O A:HOH327 2.0 65.9 1.0
NE2 A:HIS118 2.1 67.3 1.0
NE2 A:HIS1 2.1 95.3 1.0
CE1 A:HIS118 2.8 72.1 1.0
CD2 A:HIS1 3.0 89.0 1.0
CE1 A:HIS1 3.2 96.0 1.0
CD2 A:HIS118 3.3 68.8 1.0
CD2 A:HIS-1 3.4 90.3 1.0
NE2 A:HIS-1 3.7 93.7 1.0
ND1 A:HIS118 4.0 70.6 1.0
CG A:HIS1 4.2 85.8 1.0
CG A:HIS118 4.2 70.5 1.0
ND1 A:HIS1 4.3 85.4 1.0
CG A:HIS-1 4.5 90.3 1.0
CE1 A:HIS-1 4.8 90.9 1.0

Nickel binding site 2 out of 3 in 7ad5

Go back to Nickel Binding Sites List in 7ad5
Nickel binding site 2 out of 3 in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni202

b:42.5
occ:1.00
O A:HOH315 2.0 41.7 1.0
O A:HOH302 2.0 35.4 1.0
O A:ACT205 2.1 38.3 1.0
NE2 A:HIS20 2.1 46.4 1.0
C A:ACT205 2.9 39.4 1.0
CD2 A:HIS20 3.1 49.4 1.0
CE1 A:HIS20 3.1 49.1 1.0
OXT A:ACT205 3.1 37.9 1.0
O A:HOH312 4.0 48.8 1.0
O A:GLU18 4.2 42.1 1.0
ND1 A:HIS20 4.2 46.5 1.0
CG A:HIS20 4.2 52.3 1.0
CH3 A:ACT205 4.4 39.0 1.0
CB A:GLU18 4.8 44.7 1.0

Nickel binding site 3 out of 3 in 7ad5

Go back to Nickel Binding Sites List in 7ad5
Nickel binding site 3 out of 3 in the Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of the Effector AVRLM5-9 From Leptosphaeria Maculans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni203

b:96.7
occ:1.00
O A:GLY-2 2.0 72.0 1.0
CA A:HIS-1 2.8 82.7 1.0
C A:GLY-2 2.8 77.0 1.0
ND1 A:HIS-1 2.9 86.4 1.0
N A:HIS-1 3.0 78.9 1.0
CB A:HIS-1 3.5 83.3 1.0
CG A:HIS-1 3.6 90.3 1.0
N A:MET0 3.8 92.2 1.0
C A:HIS-1 3.8 84.2 1.0
CE1 A:HIS-1 4.0 90.9 1.0
CA A:GLY-2 4.2 70.8 1.0
N A:GLY-2 4.8 73.8 1.0
CD2 A:HIS-1 4.9 90.3 1.0

Reference:

N.Lazar, C.Mesarich, Y.Petit-Houdenot, N.Talbi, I.Li De La Sierra-Gallay, E.Zelie, K.Blondeau, J.Gracy, B.Ollivier, A.Van De Wouw, M.H.Balesdent, A.Idnurm, H.Van Tilbeurgh, I.Fudal. AVRLM3, AVRLM4-7 and AVRLM5-9, Three Avirulence Effectors of Leptosphaeria Maculans Displaying Suppressive Interactions, Share A Structural Fold and Are Part of A Large Effector Family To Be Published.
Page generated: Fri Nov 5 16:11:38 2021

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