Atomistry » Iodine » PDB 2axe-2fwh » 2es4
Atomistry »
  Iodine »
    PDB 2axe-2fwh »
      2es4 »

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

Go back to Iodine Binding Sites List in 2es4
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

Go back to Iodine Binding Sites List in 2es4
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

Go back to Iodine Binding Sites List in 2es4
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

Go back to Iodine Binding Sites List in 2es4
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

Go back to Iodine Binding Sites List in 2es4
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

Go back to Iodine Binding Sites List in 2es4
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

Go back to Iodine Binding Sites List in 2es4
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

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy