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Iodine in PDB 4dhg: Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation

Protein crystallography data

The structure of Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation, PDB code: 4dhg was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 70.028, 84.823, 94.119, 89.26, 84.07, 72.72
R / Rfree (%) 16.1 / 20

Iodine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation (pdb code 4dhg). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 11 binding sites of Iodine where determined in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation, PDB code: 4dhg:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 1 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


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 Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I502

b:36.1
occ:0.50
 OG1 A:THR104 3.3 35.4 1.0
NZ A:LYS103 3.4 99.6 1.0
O A:HOH747 3.6 39.0 1.0
CA A:ARG101 3.7 38.9 1.0
N A:THR104 3.8 24.9 1.0
CB D:ASP39 3.9 31.9 1.0
NE A:ARG101 4.0 68.8 1.0
CB A:LYS103 4.0 35.1 1.0
C A:ARG101 4.1 32.9 1.0
CB A:THR104 4.1 32.4 1.0
O A:SER100 4.2 61.6 1.0
CG D:ASP39 4.2 48.5 1.0
O A:ARG101 4.3 30.5 1.0
NH1 A:ARG101 4.3 78.7 1.0
CB A:ARG101 4.3 42.0 1.0
N A:LYS103 4.3 23.2 1.0
CA A:LYS103 4.5 27.3 1.0
CZ A:ARG101 4.5 80.1 1.0
OD1 D:ASP39 4.6 46.4 1.0
CG A:ARG101 4.6 65.6 1.0
CA A:THR104 4.6 23.5 1.0
CG A:LYS103 4.6 40.2 1.0
O D:ASP39 4.6 48.0 1.0
OD2 D:ASP39 4.6 46.0 1.0
C A:LYS103 4.6 31.0 1.0
CE A:LYS103 4.8 61.3 1.0
N A:ARG101 4.8 37.4 1.0
N A:VAL102 4.8 31.9 1.0
CA D:ASP39 4.8 34.3 1.0
CD A:ARG101 4.9 57.0 1.0
C D:ASP39 4.9 39.1 1.0
C A:SER100 4.9 91.5 1.0

Iodine binding site 2 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 2 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


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 Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I504

b:60.0
occ:0.50
 NE A:ARG64 3.2 62.8 1.0
CD A:ARG64 4.0 48.4 1.0
CD A:ARG79 4.0 32.8 1.0
CB A:ARG64 4.1 31.4 1.0
NH1 A:ARG79 4.1 35.6 1.0
CZ A:ARG64 4.1 73.5 1.0
NH2 A:ARG64 4.1 54.1 1.0
O A:HOH801 4.2 41.7 1.0
NE A:ARG79 4.2 31.9 1.0
O A:ARG64 4.2 29.2 1.0
CZ A:ARG79 4.3 36.4 1.0
CG A:ARG64 4.7 46.3 1.0
CA A:ARG64 4.7 25.9 1.0
O A:HOH676 4.9 47.5 1.0
C A:ARG64 4.9 30.4 1.0

Iodine binding site 3 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 3 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


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 Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I502

b:63.5
occ:0.50
 N B:ASP69 3.3 25.0 1.0
CB B:ASP69 3.7 37.9 1.0
CB B:ALA72 3.8 26.8 1.0
CD2 B:LEU68 3.8 38.4 1.0
CA B:LEU68 3.9 22.9 1.0
C B:LEU68 4.1 30.6 1.0
NH1 B:ARG75 4.1 50.9 1.0
CA B:ASP69 4.2 27.9 1.0
CB B:LEU68 4.4 27.8 1.0
CD B:ARG75 4.6 59.2 1.0
O B:GLY67 4.6 32.7 1.0
O D:HOH672 4.7 43.1 1.0
CG B:LEU68 4.8 35.1 1.0
O B:ASP69 5.0 23.8 1.0

Iodine binding site 4 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 4 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


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 Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I505

b:55.2
occ:1.00
 NE B:ARG78 2.5 39.2 0.5
CD B:ARG78 2.9 35.3 0.5
CG B:ARG78 3.5 42.2 0.5
CZ B:ARG78 3.6 45.9 0.5
NH2 B:ARG78 4.0 41.5 0.5
CB B:ARG78 4.0 34.0 0.5
CD B:ARG78 4.0 56.6 0.5
CB B:ARG78 4.0 37.7 0.5
O B:HOH611 4.2 35.0 1.0
CB D:VAL136 4.2 37.3 1.0
CG B:ARG78 4.2 46.3 0.5
CG1 D:VAL136 4.2 41.2 1.0
NE B:ARG75 4.3 86.8 1.0
CA B:ARG75 4.3 23.9 1.0
CG B:ARG75 4.4 37.4 1.0
O B:HIS74 4.6 22.1 1.0
O D:VAL136 4.6 39.5 1.0
CA D:VAL136 4.7 34.8 1.0
NH1 B:ARG78 4.7 50.3 0.5
CD B:ARG75 4.7 59.2 1.0
N B:ARG75 4.8 20.5 1.0
CB B:ARG75 4.8 25.7 1.0
C B:HIS74 4.9 22.0 1.0
NE B:ARG78 4.9 51.4 0.5

Iodine binding site 5 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 5 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


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 Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I502

b:35.2
occ:0.50
 NH1 D:ARG101 2.8 97.9 1.0
OG1 D:THR104 3.4 37.5 1.0
O D:HOH660 3.6 34.8 1.0
CA D:ARG101 3.8 38.8 1.0
CZ D:ARG101 3.8 70.5 1.0
N D:THR104 3.9 27.2 1.0
NH2 D:ARG101 4.0 59.7 1.0
CB D:LYS103 4.1 29.8 1.0
C D:ARG101 4.1 32.4 1.0
CB D:ARG101 4.1 43.1 1.0
CB D:THR104 4.2 34.2 1.0
O D:ARG101 4.2 29.4 1.0
N D:LYS103 4.3 25.9 1.0
NZ D:LYS103 4.4 78.5 1.0
CA D:LYS103 4.5 31.1 1.0
O D:SER100 4.6 56.5 1.0
CA D:THR104 4.6 21.9 1.0
C D:LYS103 4.6 31.8 1.0
CG D:ARG101 4.7 45.8 1.0
CE D:LYS103 4.8 63.8 1.0
N D:VAL102 4.8 28.8 1.0
CG D:LYS103 4.9 37.9 1.0
N D:ARG101 4.9 39.8 1.0
NE D:ARG101 5.0 68.5 1.0

Iodine binding site 6 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 6 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


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 Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I503

b:79.8
occ:0.50
 N D:THR43 3.0 27.0 1.0
NZ D:LYS122 3.4 33.0 1.0
CA D:ILE42 3.6 32.1 1.0
OG1 D:THR43 3.6 45.2 1.0
C D:ILE42 3.8 33.4 1.0
O D:THR43 3.9 29.4 1.0
CG2 D:ILE42 3.9 29.6 1.0
CD D:LYS122 4.0 32.8 1.0
CA D:THR43 4.0 29.9 1.0
O D:GLY41 4.1 39.3 1.0
CE D:LYS122 4.2 32.6 1.0
CB D:THR43 4.2 43.0 1.0
CB D:ILE42 4.3 31.4 1.0
CG2 D:THR43 4.4 47.0 1.0
C D:THR43 4.5 30.0 1.0
N D:ILE42 4.6 33.9 1.0
C D:GLY41 4.8 43.6 1.0
O D:ILE42 5.0 31.6 1.0
CG1 D:ILE42 5.0 48.2 1.0

Iodine binding site 7 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 7 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


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 Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I504

b:47.0
occ:0.50
 O1 B:GOL504 3.4 63.9 1.0
O D:HOH841 3.7 53.9 1.0
CA D:ARG75 4.0 27.7 1.0
C1 B:GOL504 4.0 0.5 1.0
O D:HOH835 4.1 47.1 1.0
O D:HIS74 4.1 21.1 1.0
NH1 A:ARG406 4.1 28.3 1.0
N D:ARG75 4.2 25.9 1.0
C D:HIS74 4.2 25.6 1.0
CB D:ARG75 4.4 26.6 1.0
CB D:HIS74 4.4 23.5 1.0
CG1 B:VAL136 4.4 39.9 1.0
CB D:ARG78 4.5 25.3 1.0
CB B:VAL136 4.5 28.8 1.0
O D:HOH703 4.6 36.9 1.0
CG D:ARG75 4.6 32.5 1.0
CA B:VAL136 4.7 26.9 1.0
CG D:ARG78 4.9 28.8 1.0
C3 B:GOL504 5.0 78.0 1.0

Iodine binding site 8 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 8 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


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 Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I505

b:66.9
occ:0.50
 N D:GLY211 3.3 34.0 1.0
CD D:PRO210 3.6 49.0 1.0
N D:PRO210 3.7 48.4 1.0
C D:PHE209 3.8 46.4 1.0
CA D:GLY211 4.0 63.2 1.0
O D:HOH762 4.0 49.0 1.0
CA D:PHE209 4.0 32.7 1.0
CD2 D:LEU212 4.1 41.3 1.0
CG D:LEU212 4.1 39.8 1.0
O D:PHE209 4.2 41.2 1.0
C D:PRO210 4.4 42.0 1.0
CA D:PRO210 4.5 47.0 1.0
CB D:PHE209 4.6 34.1 1.0
N D:LEU212 4.6 44.8 1.0
CG D:PRO210 4.7 50.9 1.0
C D:GLY211 4.7 79.3 1.0
CB D:PRO210 4.8 55.9 1.0
CD1 D:LEU212 4.9 34.8 1.0
CD1 D:PHE209 4.9 46.2 1.0

Iodine binding site 9 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 9 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I506

b:61.5
occ:0.30
 O D:HOH852 3.2 54.0 1.0
N D:GLY395 3.3 37.5 1.0
O D:HOH794 3.5 49.9 1.0
CA D:GLY395 3.8 39.1 1.0
CG1 D:ILE396 3.8 41.1 1.0
CD1 D:TRP28 4.0 34.7 1.0
CD1 D:ILE396 4.1 47.1 1.0
NE1 D:TRP28 4.4 33.9 1.0
C D:GLY395 4.4 41.9 1.0
C D:CYS394 4.4 36.8 1.0
N D:ILE396 4.6 30.8 1.0
O D:HOH793 4.8 48.4 1.0
CA D:CYS394 4.8 27.6 1.0
CB D:CYS394 4.8 31.2 1.0
CG D:PRO27 4.9 35.6 1.0
O D:HOH790 5.0 47.2 1.0

Iodine binding site 10 out of 11 in 4dhg

Go back to Iodine Binding Sites List in 4dhg
Iodine binding site 10 out of 11 in the Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of Enolase TBIS_1083(Target Efi-502310) From Thermobispora Bispora Dsm 43833, An Open Loop Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I507

b:46.6
occ:0.50
 O D:HOH814 3.5 47.6 1.0
NH1 D:ARG406 4.2 29.2 1.0

Reference:

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo. Crystal Structure of Enolase TBIS_1083 From Thermobispora Bispora Dsm 43833 To Be Published.
Page generated: Sun Aug 11 17:32:54 2024

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