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Iodine in PDB 8em5: Mycobacterium Thermoresistible MMPS5

Protein crystallography data

The structure of Mycobacterium Thermoresistible MMPS5, PDB code: 8em5 was solved by B.J.Cuthbert, C.W.Goulding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.08 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.284, 85.257, 89.124, 90, 95.19, 90
R / Rfree (%) 16.1 / 19.4

Iodine Binding Sites:

The binding sites of Iodine atom in the Mycobacterium Thermoresistible MMPS5 (pdb code 8em5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Mycobacterium Thermoresistible MMPS5, PDB code: 8em5:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in 8em5

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Iodine binding site 1 out of 8 in the Mycobacterium Thermoresistible MMPS5


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I404

b:45.5
occ:0.37
 O C:HOH570 2.0 43.6 1.0
NH1 C:ARG41 3.3 19.6 1.0
O4 B:12P202 3.4 51.9 1.0
O C:ASP29 3.5 15.4 1.0
O C:HOH528 3.6 27.8 1.0
C3 B:12P202 3.7 34.9 1.0
C C:ASP29 3.9 14.0 1.0
NH2 C:ARG41 4.0 16.4 1.0
CZ C:ARG41 4.1 14.4 1.0
CB C:ASP29 4.2 14.5 1.0
O C:VAL65 4.2 14.8 1.0
N C:GLN67 4.3 13.2 1.0
N C:ILE30 4.3 12.5 1.0
CA C:ALA66 4.4 15.4 1.0
N C:ASN31 4.5 12.0 1.0
O C:HOH590 4.5 36.6 1.0
CA C:ILE30 4.5 12.9 1.0
CB C:GLN67 4.6 17.8 1.0
C C:ILE30 4.6 16.7 1.0
C C:ALA66 4.6 15.3 1.0
C C:VAL65 4.6 14.7 1.0
C5 B:12P202 4.7 35.0 1.0
CG1 C:VAL65 4.7 25.2 1.0
CA C:ASP29 4.7 18.5 1.0
N C:ALA66 4.8 11.6 1.0
O C:GLN67 4.8 15.4 1.0
C2 B:12P202 4.8 46.0 1.0
OD1 C:ASN31 4.9 28.1 1.0
CG2 C:VAL65 5.0 16.1 1.0
CA C:GLN67 5.0 14.6 1.0

Iodine binding site 2 out of 8 in 8em5

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Iodine binding site 2 out of 8 in the Mycobacterium Thermoresistible MMPS5


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I405

b:24.1
occ:0.90
 N C:GLY22 3.5 20.8 1.0
N C:PRO24 3.8 24.8 1.0
CB C:PRO48 4.0 16.1 1.0
CA C:PRO24 4.0 23.9 1.0
CD C:PRO48 4.0 19.0 1.0
N C:THR23 4.1 17.2 1.0
C C:GLY22 4.1 27.8 1.0
CG C:PRO48 4.2 19.4 1.0
CG C:PRO24 4.2 33.1 1.0
C C:THR23 4.2 23.1 1.0
CD C:PRO24 4.2 26.8 1.0
N C:PRO48 4.3 18.4 1.0
CA C:GLY22 4.3 17.9 1.0
CB C:PHE21 4.3 15.6 1.0
CB C:PRO24 4.3 25.5 1.0
CA C:PHE21 4.4 15.4 1.0
C C:PHE21 4.4 16.4 1.0
CA C:PRO48 4.5 15.9 1.0
O C:GLY22 4.6 26.1 1.0
O C:THR23 4.6 20.8 1.0
C C:LEU47 4.7 19.4 1.0
CA C:THR23 4.7 20.3 1.0
CB C:LEU47 4.8 19.0 1.0
O C:LEU47 4.9 17.2 1.0

Iodine binding site 3 out of 8 in 8em5

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Iodine binding site 3 out of 8 in the Mycobacterium Thermoresistible MMPS5


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I204

b:52.8
occ:0.41
 O D:HOH375 2.9 30.5 1.0
O B:HOH361 3.3 24.8 1.0
ND2 B:ASN43 3.8 25.3 1.0
NE1 D:TRP89 3.9 27.5 1.0
CG1 D:VAL85 4.1 32.9 1.0
CG1 D:VAL82 4.4 18.1 1.0
CD1 D:TRP89 4.5 30.3 1.0
CB D:VAL82 4.6 24.5 1.0
CB B:ASN43 4.7 21.8 1.0
CG B:ASN43 4.7 24.6 1.0
O D:HOH315 4.8 19.3 1.0
O D:HOH333 4.8 28.8 1.0
CG2 D:VAL82 5.0 26.0 1.0

Iodine binding site 4 out of 8 in 8em5

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Iodine binding site 4 out of 8 in the Mycobacterium Thermoresistible MMPS5


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:I205

b:20.3
occ:0.96
 OG D:SER94 3.3 17.5 1.0
N E:GLY22 3.4 14.3 1.0
N E:PRO24 3.8 16.8 1.0
CB D:SER94 3.8 17.1 1.0
CB E:PRO48 3.9 11.2 1.0
CA E:PRO24 3.9 24.7 1.0
CD E:PRO24 4.0 21.0 1.0
N E:THR23 4.0 18.7 1.0
N E:PRO48 4.0 15.8 1.0
CG E:PRO24 4.1 24.0 1.0
C E:THR23 4.1 25.1 1.0
CG D:PRO53 4.1 37.6 1.0
CD E:PRO48 4.1 19.0 1.0
CA E:PHE21 4.1 16.1 1.0
CB E:PHE21 4.2 14.0 1.0
CA E:PRO48 4.2 12.4 1.0
C E:PHE21 4.3 17.4 1.0
C E:GLY22 4.3 23.9 1.0
CB E:LEU47 4.3 14.3 1.0
CG E:PRO48 4.3 15.4 1.0
CA E:GLY22 4.3 17.1 1.0
C E:LEU47 4.3 15.8 1.0
CB E:PRO24 4.4 19.6 1.0
CB D:PRO53 4.4 22.6 1.0
O E:THR23 4.4 18.9 1.0
O E:LEU47 4.6 14.9 1.0
CA E:THR23 4.7 20.3 1.0
CG2 D:VAL55 4.7 14.8 1.0
CA E:LEU47 5.0 17.8 1.0

Iodine binding site 5 out of 8 in 8em5

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Iodine binding site 5 out of 8 in the Mycobacterium Thermoresistible MMPS5


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:

Iodine binding site 6 out of 8 in 8em5

Go back to Iodine Binding Sites List in 8em5
Iodine binding site 6 out of 8 in the Mycobacterium Thermoresistible MMPS5


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:

Iodine binding site 7 out of 8 in 8em5

Go back to Iodine Binding Sites List in 8em5
Iodine binding site 7 out of 8 in the Mycobacterium Thermoresistible MMPS5


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:

Iodine binding site 8 out of 8 in 8em5

Go back to Iodine Binding Sites List in 8em5
Iodine binding site 8 out of 8 in the Mycobacterium Thermoresistible MMPS5


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:I205

b:21.3
occ:0.76
 N F:GLY22 3.5 17.9 1.0
CG F:PRO24 3.8 25.9 1.0
N F:PRO24 3.8 20.6 1.0
CB F:PRO48 3.9 16.8 1.0
CA F:PRO24 3.9 21.3 1.0
N F:THR23 4.0 24.6 1.0
CG F:PRO48 4.0 14.4 1.0
C F:THR23 4.0 17.5 1.0
N F:PRO48 4.1 18.4 1.0
CD F:PRO24 4.1 20.4 1.0
CB F:PHE21 4.2 16.2 1.0
CA F:PHE21 4.2 14.8 1.0
CD F:PRO48 4.2 19.9 1.0
C F:GLY22 4.3 29.7 1.0
C F:PHE21 4.3 24.0 1.0
CA F:PRO48 4.3 15.1 1.0
CB F:PRO24 4.3 21.0 1.0
CA F:GLY22 4.3 21.5 1.0
O F:THR23 4.4 21.4 1.0
C F:LEU47 4.5 20.9 1.0
CB F:LEU47 4.5 11.4 1.0
CA F:THR23 4.6 22.4 1.0
O F:LEU47 4.8 21.4 1.0
O F:GLY22 5.0 27.5 1.0

Reference:

B.J.Cuthbert, C.W.Goulding. Crystal Structure of Mycobacterium Thermoresistible MMPS5 To Be Published.
Page generated: Thu Dec 28 06:38:17 2023

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