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Iodine in PDB 2es4: Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase

Enzymatic activity of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase

All present enzymatic activity of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase:
3.1.1.3;

Protein crystallography data

The structure of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase, PDB code: 2es4 was solved by K.Pauwels, L.Wyns, J.Tommassen, S.N.Savvides, P.Van Gelder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.000, 75.700, 116.600, 90.00, 117.60, 90.00
R / Rfree (%) 19.9 / 21.9

Other elements in 2es4:

The structure of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase (pdb code 2es4). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase, PDB code: 2es4:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in 2es4

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Iodine binding site 1 out of 8 in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I905

b:57.4
occ:1.00
 O D:HOH956 3.5 35.4 1.0
NH1 D:ARG109 3.9 48.8 1.0
CB D:ARG109 4.2 31.8 1.0
CD D:ARG109 4.2 40.4 1.0
CG D:ARG109 4.4 34.9 1.0
CD1 D:LEU126 4.5 43.8 1.0
CZ D:ARG109 4.9 46.3 1.0
O D:ARG109 5.0 28.3 1.0
NE D:ARG109 5.0 43.9 1.0

Iodine binding site 2 out of 8 in 2es4

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Iodine binding site 2 out of 8 in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I903

b:40.5
occ:1.00
 O B:HOH1075 3.1 29.1 1.0
NE2 B:GLN34 3.5 21.9 1.0
CG E:GLN234 3.6 42.3 1.0
N B:VAL46 3.7 18.8 1.0
OH B:TYR68 3.9 22.9 1.0
CA B:TYR45 4.0 17.6 1.0
OE1 E:GLN233 4.1 37.8 1.0
NE2 E:GLN234 4.1 44.0 1.0
CD1 B:TYR45 4.2 22.5 1.0
C B:TYR45 4.4 20.3 1.0
CD E:GLN234 4.4 43.9 1.0
O B:VAL44 4.5 20.4 1.0
CB E:GLN234 4.5 38.6 1.0
CA E:GLN234 4.5 36.7 1.0
CB B:TYR45 4.6 18.2 1.0
O B:HOH1134 4.6 38.0 1.0
O B:VAL46 4.6 20.8 1.0
CD B:GLN34 4.6 20.1 1.0
CA B:VAL46 4.7 18.9 1.0
CB B:VAL46 4.7 20.0 1.0
CG B:TYR45 4.7 19.3 1.0
OE1 B:GLN34 4.8 21.3 1.0
N E:GLN234 4.8 35.4 1.0
CG2 B:VAL46 4.9 19.4 1.0
CE1 B:TYR45 4.9 23.9 1.0

Iodine binding site 3 out of 8 in 2es4

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Iodine binding site 3 out of 8 in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I904

b:50.8
occ:1.00
 O B:HOH1266 3.0 24.9 1.0
CG B:GLU197 3.5 32.2 1.0
OE2 B:GLU197 3.6 31.3 1.0
O B:HOH1155 3.7 37.7 1.0
CB B:ALA182 3.8 27.7 1.0
CD B:GLU197 4.1 33.4 1.0
N B:THR198 4.3 26.1 1.0
CB B:GLU197 4.3 28.9 1.0
CA B:GLU197 4.4 26.4 1.0
O B:THR198 4.4 27.5 1.0
CG1 B:VAL199 4.7 29.6 1.0
C B:GLU197 4.9 26.2 1.0
C B:THR198 5.0 27.4 1.0
O B:HOH1190 5.0 42.0 1.0

Iodine binding site 4 out of 8 in 2es4

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Iodine binding site 4 out of 8 in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I906

b:66.4
occ:1.00
 O B:HOH1171 3.2 40.6 1.0
N B:GLY188 3.6 44.2 1.0
N B:CYS190 3.8 31.2 1.0
O B:HOH1121 3.8 35.0 1.0
CA B:GLY188 3.9 42.2 1.0
O B:HOH1209 4.0 45.4 1.0
CA B:CYS190 4.1 29.3 1.0
CG B:ARG115 4.1 33.0 1.0
N B:SER189 4.2 38.5 1.0
CB B:CYS269 4.3 24.6 1.0
C B:GLY188 4.4 41.3 1.0
O B:CYS269 4.4 18.5 1.0
CB B:ARG115 4.6 26.4 1.0
C B:CYS269 4.7 18.9 1.0
C B:PRO187 4.7 45.4 1.0
O B:ALA186 4.7 41.7 1.0
CD B:ARG115 4.8 36.7 1.0
NE B:ARG115 4.8 41.8 1.0
CB B:CYS190 4.9 30.6 1.0
CA B:PRO187 5.0 44.3 1.0
C B:SER189 5.0 33.9 1.0

Iodine binding site 5 out of 8 in 2es4

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Iodine binding site 5 out of 8 in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I907

b:53.9
occ:1.00
 O B:HOH1117 3.2 31.7 1.0
O B:HOH1260 3.3 27.5 1.0
NE2 B:GLN261 3.5 27.3 1.0
CG B:GLN261 4.0 22.4 1.0
SG B:CYS269 4.2 32.3 1.0
CD B:ARG268 4.3 33.6 1.0
CD B:GLN261 4.3 26.1 1.0
N B:GLN261 4.5 19.8 1.0
CB B:ARG268 4.6 22.8 1.0
CA B:GLY260 4.8 20.7 1.0
NH1 B:ARG268 4.8 42.9 1.0
SG B:CYS190 4.8 34.0 1.0
CG B:ARG268 4.8 27.8 1.0

Iodine binding site 6 out of 8 in 2es4

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Iodine binding site 6 out of 8 in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:I901

b:31.0
occ:1.00
 O E:HOH940 3.3 34.1 1.0
O E:HOH957 3.3 37.1 1.0
O B:HOH1115 3.6 33.4 1.0
N E:GLY65 3.7 23.4 1.0
CD2 E:LEU59 4.0 31.0 1.0
CA E:ALA64 4.1 22.3 1.0
CB E:LEU59 4.4 29.8 1.0
C E:ALA64 4.4 22.0 1.0
CG E:LEU59 4.5 29.9 1.0
CB E:ALA64 4.5 22.9 1.0
N E:LEU59 4.5 29.4 1.0
N E:ALA58 4.7 31.5 1.0
CA E:GLY65 4.7 22.9 1.0
CB E:ALA58 4.8 29.0 1.0
O E:HOH918 5.0 26.2 1.0

Iodine binding site 7 out of 8 in 2es4

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Iodine binding site 7 out of 8 in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:I902

b:30.2
occ:1.00
 O E:HOH1038 3.6 38.9 1.0
CD E:ARG110 4.0 28.0 1.0
CB E:ALA106 4.2 27.8 1.0
C E:ALA106 4.4 26.8 1.0
N E:LEU107 4.4 25.5 1.0
O E:ALA106 4.5 24.8 1.0
CA E:LEU107 4.5 25.6 1.0
CB E:ARG110 4.9 25.9 1.0
NE E:ARG110 4.9 27.9 1.0
CA E:ALA106 5.0 27.1 1.0

Iodine binding site 8 out of 8 in 2es4

Go back to Iodine Binding Sites List in 2es4
Iodine binding site 8 out of 8 in the Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of the Burkholderia Glumae Lipase-Specific Foldase in Complex with Its Cognate Lipase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:I908

b:49.3
occ:1.00
 O E:HOH924 3.4 29.6 1.0
CB E:ARG109 4.1 29.1 1.0
CD E:ARG109 4.1 37.0 1.0
CG E:ARG109 4.4 33.1 1.0
CD1 E:LEU126 4.6 41.6 1.0
O E:ARG109 5.0 26.6 1.0

Reference:

K.Pauwels, A.Lustig, L.Wyns, J.Tommassen, S.N.Savvides, P.Van Gelder. Structure of A Membrane-Based Steric Chaperone in Complex with Its Lipase Substrate. Nat.Struct.Mol.Biol. V. 13 374 2006.
ISSN: ISSN 1545-9993
PubMed: 16518399
DOI: 10.1038/NSMB1065
Page generated: Sun Aug 11 13:46:14 2024

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