Iodine in PDB 8a24: Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak

Enzymatic activity of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak

All present enzymatic activity of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak:
2.3.1.43;

Protein crystallography data

The structure of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak, PDB code: 8a24 was solved by M.G.Diwo, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.89 / 2.36
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.852, 81.852, 68.21, 90, 90, 120
R / Rfree (%) 22.8 / 27.9

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Iodine atom in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak (pdb code 8a24). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 13 binding sites of Iodine where determined in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak, PDB code: 8a24:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 13 in 8a24

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Iodine binding site 1 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I401

b:59.5
occ:1.00
HD21 A:ASN58 2.7 51.4 1.0
H A:LEU286 3.1 51.8 1.0
HB3 A:ALA285 3.3 49.1 1.0
HB A:THR284 3.3 50.9 1.0
O A:HOH508 3.4 51.0 1.0
H A:ALA285 3.5 55.5 1.0
ND2 A:ASN58 3.5 42.8 1.0
HA A:ASP273 3.6 81.0 1.0
HB2 A:LEU286 3.6 55.5 1.0
O A:CYS272 3.8 61.6 1.0
N A:LEU286 3.8 43.1 1.0
HG1 A:THR284 3.8 46.6 1.0
HD22 A:ASN58 4.0 51.4 1.0
HB3 A:LEU286 4.0 55.5 1.0
N A:ALA285 4.1 46.2 1.0
OG1 A:THR284 4.1 38.8 1.0
CB A:THR284 4.2 42.4 1.0
CB A:LEU286 4.2 46.3 1.0
CB A:ALA285 4.2 41.0 1.0
OD1 A:ASN58 4.3 40.8 1.0
CG A:ASN58 4.4 44.5 1.0
C A:CYS272 4.4 64.4 1.0
H A:GLY274 4.4 76.2 1.0
CA A:ASP273 4.5 67.5 1.0
CA A:ALA285 4.5 43.0 1.0
HB2 A:ALA285 4.6 49.1 1.0
CA A:LEU286 4.6 44.2 1.0
C A:ALA285 4.6 41.8 1.0
N A:ASP273 4.7 72.9 1.0
HG21 A:THR284 4.8 50.9 1.0
HB1 A:ALA285 4.9 49.1 1.0
HB2 A:CYS272 4.9 80.3 1.0
C A:THR284 5.0 43.2 1.0

Iodine binding site 2 out of 13 in 8a24

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Iodine binding site 2 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I402

b:71.9
occ:1.00
H A:GLU53 2.9 50.8 1.0
HG2 A:GLU53 3.0 62.3 1.0
HB3 A:SER48 3.2 53.8 1.0
HA A:PHE52 3.5 52.8 1.0
HG3 A:GLU53 3.6 62.3 1.0
N A:GLU53 3.7 42.4 1.0
CG A:GLU53 3.7 51.9 1.0
HD3 A:PRO49 3.7 69.4 1.0
O A:TYR51 3.8 45.2 1.0
CB A:SER48 4.0 44.9 1.0
C A:SER48 4.1 44.3 1.0
HA A:GLU53 4.1 52.1 1.0
N A:PRO49 4.1 44.2 1.0
HB2 A:SER48 4.2 53.8 1.0
HA A:PRO49 4.2 60.5 1.0
O A:SER48 4.2 49.1 1.0
O A:HOH529 4.3 48.0 1.0
HB3 A:PRO49 4.3 64.7 1.0
CA A:GLU53 4.4 43.4 1.0
CA A:PHE52 4.4 44.0 1.0
CD A:PRO49 4.4 57.9 1.0
HD1 A:PHE52 4.4 58.3 1.0
CA A:SER48 4.5 48.2 1.0
C A:PHE52 4.5 43.1 1.0
HA A:SER48 4.6 57.9 1.0
CA A:PRO49 4.6 50.4 1.0
CB A:GLU53 4.7 42.5 1.0
CD A:GLU53 4.8 65.0 1.0
OE2 A:GLU53 4.8 66.7 1.0
C A:TYR51 4.9 44.6 1.0
CD1 A:PHE52 4.9 48.6 1.0
CB A:PRO49 4.9 53.9 1.0

Iodine binding site 3 out of 13 in 8a24

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Iodine binding site 3 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I403

b:121.6
occ:1.00
O A:PRO72 3.1 114.0 1.0
HB3 A:PHE71 3.2 84.3 1.0
HA A:PHE71 3.2 84.7 1.0
HD2 A:PRO72 3.6 123.0 1.0
HD1 A:PHE71 3.6 113.4 1.0
CA A:PHE71 3.7 70.6 1.0
C A:PHE71 3.7 76.7 1.0
CB A:PHE71 3.9 70.2 1.0
N A:PRO72 3.9 98.5 1.0
C A:PRO72 4.1 110.7 1.0
HB3 A:ASP74 4.1 145.3 1.0
CD A:PRO72 4.2 102.5 1.0
O A:PHE71 4.2 80.2 1.0
H A:ASP74 4.4 138.8 1.0
CD1 A:PHE71 4.4 94.5 1.0
HB2 A:ASN73 4.5 136.5 1.0
HB2 A:PHE71 4.6 84.3 1.0
CA A:PRO72 4.6 121.8 1.0
HD3 A:PRO72 4.7 123.0 1.0
CG A:PHE71 4.7 79.1 1.0
O A:ASP74 4.8 97.1 1.0
N A:ASP74 4.8 115.7 1.0
NE2 A:HIS78 4.9 80.4 1.0
O A:GLU308 5.0 103.8 1.0
CB A:ASP74 5.0 121.1 1.0

Iodine binding site 4 out of 13 in 8a24

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Iodine binding site 4 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I404

b:59.8
occ:1.00
H A:ASP81 2.7 51.9 1.0
HD21 A:ASN34 2.8 35.9 1.0
HB3 A:ASP81 3.3 42.0 1.0
O A:LEU79 3.4 48.4 1.0
N A:ASP81 3.6 43.2 1.0
ND2 A:ASN34 3.6 29.9 1.0
HA A:LEU80 3.7 51.8 1.0
HB2 A:ASP81 4.0 42.0 1.0
CB A:ASP81 4.0 35.0 1.0
HD22 A:ASN34 4.1 35.9 1.0
HG A:LEU79 4.2 56.9 1.0
O A:ASP81 4.2 43.4 1.0
CA A:ASP81 4.3 37.0 1.0
C A:LEU79 4.4 50.5 1.0
OD1 A:ASN34 4.4 32.2 1.0
CA A:LEU80 4.4 43.2 1.0
CG A:ASN34 4.4 34.6 1.0
C A:LEU80 4.5 40.2 1.0
C A:ASP81 4.7 39.5 1.0
HD23 A:LEU80 4.7 47.2 1.0
N A:LEU80 4.9 44.7 1.0
HB3 A:LEU79 4.9 67.3 1.0
HD23 A:LEU79 5.0 58.4 1.0

Iodine binding site 5 out of 13 in 8a24

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Iodine binding site 5 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I405

b:80.5
occ:1.00
HG23 A:ILE290 3.2 48.3 1.0
HE1 A:TYR234 3.3 68.5 1.0
OE1 A:GLU293 3.4 56.5 1.0
HB2 A:GLU293 3.7 55.6 1.0
HA A:ILE290 3.8 55.8 1.0
HG3 A:LYS294 3.8 55.5 1.0
HE2 A:LYS294 3.9 53.3 1.0
HZ2 A:LYS294 3.9 60.3 1.0
HG12 A:ILE290 3.9 56.7 1.0
HB3 A:GLU293 4.1 55.6 1.0
CG2 A:ILE290 4.1 40.2 1.0
CE1 A:TYR234 4.1 57.1 1.0
HD1 A:TYR234 4.2 68.0 1.0
CB A:GLU293 4.3 46.4 1.0
HG21 A:ILE290 4.4 48.3 1.0
NZ A:LYS294 4.5 50.2 1.0
HZ3 A:LYS294 4.5 60.3 1.0
HG2 A:LYS294 4.5 55.5 1.0
CD A:GLU293 4.5 64.2 1.0
CA A:ILE290 4.6 46.5 1.0
CG A:LYS294 4.6 46.2 1.0
CD1 A:TYR234 4.6 56.7 1.0
O A:ILE290 4.6 42.9 1.0
CE A:LYS294 4.6 44.4 1.0
CB A:ILE290 4.7 41.2 1.0
HG22 A:ILE290 4.7 48.3 1.0
CG1 A:ILE290 4.7 47.3 1.0
H A:LYS294 5.0 48.0 1.0

Iodine binding site 6 out of 13 in 8a24

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Iodine binding site 6 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I406

b:57.3
occ:1.00
H A:ARG103 2.9 56.0 1.0
HG2 A:ARG103 2.9 69.5 1.0
H A:SER90 3.0 76.6 1.0
HG12 A:VAL89 3.1 74.3 1.0
HB3 A:ARG103 3.3 64.3 1.0
HB A:THR101 3.4 69.7 1.0
HA A:VAL89 3.5 74.6 1.0
HB3 A:LEU102 3.5 50.6 1.0
CG A:ARG103 3.7 58.0 1.0
H A:LEU102 3.8 58.6 1.0
N A:ARG103 3.8 46.7 1.0
HD3 A:ARG103 3.8 82.1 1.0
N A:SER90 3.8 63.8 1.0
HB3 A:SER90 3.9 102.6 1.0
HA3 A:GLY149 3.9 56.1 1.0
CB A:ARG103 3.9 53.5 1.0
CG1 A:VAL89 4.0 61.9 1.0
HB2 A:SER90 4.1 102.6 1.0
HG13 A:VAL89 4.1 74.3 1.0
CD A:ARG103 4.2 68.4 1.0
N A:LEU102 4.2 48.9 1.0
CA A:VAL89 4.3 62.2 1.0
HA2 A:GLY149 4.3 56.1 1.0
HE A:ARG103 4.3 84.5 1.0
CB A:SER90 4.4 85.5 1.0
HG22 A:VAL89 4.4 72.5 1.0
CB A:THR101 4.4 58.1 1.0
CB A:LEU102 4.4 42.2 1.0
CA A:ARG103 4.5 51.2 1.0
HG3 A:ARG103 4.5 69.5 1.0
CA A:GLY149 4.5 46.7 1.0
C A:VAL89 4.6 57.5 1.0
CB A:VAL89 4.7 62.1 1.0
CA A:LEU102 4.7 48.7 1.0
HG11 A:VAL89 4.7 74.3 1.0
NE A:ARG103 4.7 70.4 1.0
C A:LEU102 4.7 46.7 1.0
CA A:SER90 4.7 70.2 1.0
HB2 A:ARG103 4.8 64.3 1.0
O A:GLY149 4.8 37.6 1.0
HA A:ARG103 4.8 61.5 1.0
HD23 A:LEU102 4.8 55.1 1.0
HG A:SER153 4.9 56.5 1.0
O A:GLY88 4.9 51.3 1.0
HA A:THR101 4.9 66.8 1.0
HB2 A:LEU102 5.0 50.6 1.0
HG22 A:THR101 5.0 77.9 1.0
C A:THR101 5.0 49.9 1.0
C A:GLY149 5.0 42.6 1.0
HG1 A:THR101 5.0 62.3 1.0

Iodine binding site 7 out of 13 in 8a24

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Iodine binding site 7 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I407

b:103.0
occ:1.00
HB2 A:ALA68 3.2 71.3 1.0
HA A:ARG65 3.5 61.2 1.0
HG2 A:ARG65 3.5 56.8 1.0
HG2 A:PRO60 3.8 58.7 1.0
CB A:ALA68 3.8 59.4 1.0
HB3 A:ALA68 3.9 71.3 1.0
HB1 A:ALA68 3.9 71.3 1.0
HB3 A:PRO60 3.9 54.8 1.0
HB3 A:GLU64 4.0 50.2 1.0
HB2 A:PRO60 4.2 54.8 1.0
CA A:ARG65 4.3 51.0 1.0
CB A:PRO60 4.3 45.6 1.0
CG A:ARG65 4.4 47.4 1.0
O A:GLU64 4.4 40.8 1.0
CG A:PRO60 4.4 48.9 1.0
HG3 A:PRO60 4.5 58.7 1.0
N A:ARG65 4.5 40.3 1.0
C A:GLU64 4.5 42.1 1.0
HG3 A:ARG65 4.5 56.8 1.0
CB A:GLU64 4.8 41.8 1.0
HB2 A:GLU64 4.8 50.2 1.0
H A:ARG65 4.9 48.4 1.0
CB A:ARG65 4.9 44.9 1.0

Iodine binding site 8 out of 13 in 8a24

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Iodine binding site 8 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I408

b:116.5
occ:1.00
HA A:LYS42 3.2 49.0 1.0
HB3 A:LYS42 3.9 50.8 1.0
CA A:LYS42 4.0 40.8 1.0
HG3 A:LYS42 4.0 50.3 1.0
O A:HOH526 4.0 41.3 1.0
ND1 A:HIS43 4.3 47.6 1.0
CB A:LYS42 4.3 42.3 1.0
C A:LYS42 4.5 38.5 1.0
CE1 A:HIS43 4.5 51.2 1.0
HE1 A:HIS43 4.5 61.4 1.0
CG A:LYS42 4.5 41.9 1.0
HG2 A:LYS42 4.6 50.3 1.0
O A:LYS42 4.7 47.4 1.0
CG A:HIS43 4.9 48.4 1.0
HB2 A:HIS43 4.9 50.9 1.0

Iodine binding site 9 out of 13 in 8a24

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Iodine binding site 9 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I409

b:93.6
occ:1.00
HE2 A:LYS289 3.0 82.6 1.0
O A:HOH538 3.2 45.4 1.0
HH22 A:ARG65 3.2 78.2 1.0
HA A:LEU286 3.5 53.1 1.0
HB1 A:ALA285 3.6 49.1 1.0
HH12 A:ARG65 3.7 68.5 1.0
NH2 A:ARG65 3.7 65.2 1.0
HB3 A:ALA285 3.8 49.1 1.0
CE A:LYS289 3.9 68.9 1.0
HD3 A:LYS289 4.0 73.6 1.0
NH1 A:ARG65 4.1 57.0 1.0
HB2 A:LYS289 4.1 65.3 1.0
O A:ALA285 4.1 39.4 1.0
C A:ALA285 4.2 41.8 1.0
HH21 A:ARG65 4.2 78.2 1.0
CB A:ALA285 4.2 41.0 1.0
CZ A:ARG65 4.2 54.3 1.0
N A:LEU286 4.2 43.1 1.0
CA A:LEU286 4.3 44.2 1.0
HB2 A:LEU286 4.4 55.5 1.0
HD13 A:LEU286 4.4 54.4 1.0
HZ3 A:LYS289 4.4 85.3 1.0
HE3 A:LYS289 4.5 82.6 1.0
HZ1 A:LYS289 4.5 85.3 1.0
O A:HOH534 4.5 64.7 1.0
HB3 A:LYS289 4.5 65.3 1.0
H A:LEU286 4.5 51.8 1.0
CD A:LYS289 4.5 61.4 1.0
NZ A:LYS289 4.6 71.1 1.0
HH11 A:ARG65 4.7 68.5 1.0
CB A:LYS289 4.7 54.4 1.0
CA A:ALA285 4.8 43.0 1.0
CB A:LEU286 4.9 46.3 1.0
HB2 A:ALA285 5.0 49.1 1.0
HD12 A:LEU286 5.0 54.4 1.0

Iodine binding site 10 out of 13 in 8a24

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Iodine binding site 10 out of 13 in the Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Lysophospholipase Plaa From Legionella Pneumophila Str. Corby - Iodide Soak within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I410

b:96.7
occ:1.00
HD21 A:ASN130 2.8 62.4 1.0
HB2 A:SER255 2.8 93.5 1.0
HG A:LEU257 3.0 73.6 1.0
H A:LEU257 3.2 71.2 1.0
HD12 A:LEU257 3.2 64.1 1.0
HB2 A:LEU257 3.3 78.6 1.0
HA3 A:GLY86 3.5 53.3 1.0
HA2 A:GLY86 3.6 53.3 1.0
ND2 A:ASN130 3.6 52.0 1.0
CG A:LEU257 3.7 61.4 1.0
H A:VAL256 3.7 69.4 1.0
H A:PHE99 3.7 59.4 1.0
CB A:SER255 3.8 77.9 1.0
O A:GLY86 3.8 46.4 1.0
HA A:VAL98 3.8 67.6 1.0
CD1 A:LEU257 3.9 53.4 1.0
HB2 A:PHE99 3.9 57.2 1.0
CB A:LEU257 4.0 65.5 1.0
O A:HOH517 4.0 54.9 1.0
CA A:GLY86 4.0 44.4 1.0
N A:LEU257 4.0 59.3 1.0
HD22 A:ASN130 4.1 62.4 1.0
HD11 A:LEU257 4.1 64.1 1.0
HB3 A:SER255 4.1 93.5 1.0
HG A:SER255 4.1 103.8 1.0
N A:PHE99 4.2 49.5 1.0
HB A:VAL256 4.2 62.8 1.0
N A:VAL256 4.3 57.9 1.0
OD1 A:ASN130 4.4 55.6 1.0
OG A:SER255 4.4 86.5 1.0
N A:VAL98 4.4 61.0 1.0
C A:GLY86 4.4 43.9 1.0
CG A:ASN130 4.4 47.0 1.0
CA A:VAL98 4.4 56.3 1.0
HB3 A:PHE99 4.5 57.2 1.0
HA A:SER255 4.6 101.8 1.0
CB A:PHE99 4.6 47.7 1.0
CA A:LEU257 4.6 61.7 1.0
C A:VAL98 4.6 53.0 1.0
CA A:SER255 4.7 84.9 1.0
HD13 A:LEU257 4.7 64.1 1.0
HB3 A:LEU257 4.8 78.6 1.0
C A:SER255 4.9 68.7 1.0
H A:VAL98 4.9 73.2 1.0
CA A:PHE99 4.9 48.9 1.0
C A:VAL256 5.0 56.0 1.0
CA A:VAL256 5.0 56.5 1.0

Reference:

M.Hiller, M.G.Diwo, C.Lang, S.Wamp, W.Blankenfeldt, A.Flieger. Structure-Function Relationship Underpins Disulfide Loop Cleavage-Dependent Activation of Legionella Pneumophila Lysophosholipase A Plaa and Affects Bacterial Cell Integrity To Be Published.
Page generated: Mon Aug 12 02:27:50 2024

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