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Bromine in PDB 4my1: Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68

Enzymatic activity of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68

All present enzymatic activity of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68:
1.1.1.205;

Protein crystallography data

The structure of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68, PDB code: 4my1 was solved by Y.Kim, M.Makowska-Grzyska, M.Gu, W.F.Anderson, A.Joachimiak, Csgid, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.25 / 2.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 83.220, 89.391, 103.987, 81.13, 89.95, 83.59
R / Rfree (%) 19.4 / 25.3

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 (pdb code 4my1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68, PDB code: 4my1:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 4my1

Go back to Bromine Binding Sites List in 4my1
Bromine binding site 1 out of 8 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br501

b:72.5
occ:0.45
 BR1 A:P68501 0.0 72.5 0.5
C8 A:P68501 1.9 59.0 1.0
C9 A:P68501 2.8 59.0 1.0
C7 A:P68501 2.8 59.0 1.0
O C:VAL25 3.7 66.5 1.0
O C:GLY444 3.8 45.8 1.0
C C:GLY444 3.8 45.0 1.0
CA C:GLY444 3.9 44.2 1.0
CD C:PRO27 3.9 60.7 1.0
C10 A:P68501 4.1 59.0 1.0
CD2 A:HIS254 4.1 50.5 1.0
C6 A:P68501 4.1 58.9 1.0
CB A:HIS254 4.3 50.9 1.0
N C:TYR445 4.4 45.0 1.0
CG C:PRO27 4.4 58.9 1.0
OG C:SER23 4.4 56.2 1.0
CG A:HIS254 4.6 50.2 1.0
C5 A:P68501 4.6 59.0 1.0
CA C:LEU26 4.7 66.1 1.0
C C:VAL25 4.8 67.3 1.0
CB C:SER23 4.9 57.0 1.0
OG A:SER257 4.9 61.4 1.0
N C:PRO27 4.9 60.1 1.0

Bromine binding site 2 out of 8 in 4my1

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Bromine binding site 2 out of 8 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br501

b:0.8
occ:1.00
 BR1 B:P68501 0.0 0.8 1.0
C8 B:P68501 1.9 56.2 1.0
C9 B:P68501 2.8 56.1 1.0
C7 B:P68501 2.8 56.1 1.0
O A:GLY444 3.6 50.1 1.0
C A:GLY444 3.7 49.5 1.0
CB B:HIS254 3.8 51.5 1.0
O A:VAL25 3.9 69.4 1.0
CA A:GLY444 3.9 49.7 1.0
CD A:PRO27 4.0 60.8 1.0
CD2 B:HIS254 4.1 51.5 1.0
C10 B:P68501 4.1 56.0 1.0
C6 B:P68501 4.1 56.0 1.0
CG B:HIS254 4.3 51.1 1.0
N A:TYR445 4.4 48.8 1.0
OG A:SER23 4.5 64.0 1.0
CG A:PRO27 4.6 60.0 1.0
C5 B:P68501 4.6 56.0 1.0
CA A:LEU26 4.6 64.3 1.0
CD2 A:LEU26 4.7 60.5 1.0
N A:PRO27 4.9 61.6 1.0
C A:VAL25 4.9 70.3 1.0

Bromine binding site 3 out of 8 in 4my1

Go back to Bromine Binding Sites List in 4my1
Bromine binding site 3 out of 8 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br501

b:0.1
occ:1.00
 BR1 C:P68501 0.0 0.1 1.0
C8 C:P68501 1.9 55.6 1.0
C7 C:P68501 2.9 55.6 1.0
C9 C:P68501 2.9 55.6 1.0
O D:GLY444 3.6 49.4 1.0
ND1 C:HIS254 3.7 54.5 1.0
C D:GLY444 3.7 48.9 1.0
CB C:HIS254 3.9 54.2 1.0
O D:VAL25 4.0 60.2 1.0
CA D:GLY444 4.0 48.8 1.0
C6 C:P68501 4.2 55.6 1.0
C10 C:P68501 4.2 55.6 1.0
OG D:SER23 4.2 59.2 1.0
CG C:HIS254 4.2 53.5 1.0
OG C:SER257 4.3 62.0 1.0
N D:TYR445 4.3 48.8 1.0
CD D:PRO27 4.5 63.0 1.0
CD2 D:LEU26 4.5 60.9 1.0
C5 C:P68501 4.7 55.6 1.0
CB D:SER23 4.7 59.2 1.0
CE1 C:HIS254 4.8 54.0 1.0
CB C:SER257 4.8 59.9 1.0
CA D:TYR445 4.8 49.2 1.0
CG D:PRO27 4.9 62.6 1.0
CA D:LEU26 4.9 61.5 1.0

Bromine binding site 4 out of 8 in 4my1

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Bromine binding site 4 out of 8 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br501

b:0.1
occ:1.00
 BR1 D:P68501 0.0 0.1 1.0
C8 D:P68501 1.9 61.9 1.0
C9 D:P68501 2.8 61.9 1.0
C7 D:P68501 2.9 61.8 1.0
O B:GLY444 3.8 49.5 1.0
O B:VAL25 3.9 59.8 1.0
CB D:HIS254 3.9 63.3 1.0
C B:GLY444 4.0 49.0 1.0
CD2 D:HIS254 4.0 63.3 1.0
CD B:PRO27 4.1 57.5 1.0
CA B:GLY444 4.1 49.3 1.0
C10 D:P68501 4.1 61.8 1.0
C6 D:P68501 4.2 61.7 1.0
CG D:HIS254 4.3 62.7 1.0
CD2 B:LEU26 4.4 65.7 1.0
OG B:SER23 4.5 60.9 1.0
N B:TYR445 4.6 48.1 1.0
C5 D:P68501 4.7 61.6 1.0
CA B:LEU26 4.8 60.2 1.0

Bromine binding site 5 out of 8 in 4my1

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Bromine binding site 5 out of 8 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br502

b:0.8
occ:1.00
 BR1 E:P68502 0.0 0.8 1.0
C8 E:P68502 1.9 68.6 1.0
C9 E:P68502 2.8 68.6 1.0
C7 E:P68502 2.8 68.6 1.0
CB E:HIS254 3.6 63.0 1.0
ND1 E:HIS254 3.7 63.6 1.0
O E:HOH606 4.0 46.6 1.0
CG E:HIS254 4.1 62.5 1.0
C6 E:P68502 4.1 68.5 1.0
C10 E:P68502 4.1 68.5 1.0
C G:GLY444 4.2 54.2 1.0
O G:GLY444 4.2 55.2 1.0
CA G:GLY444 4.3 53.7 1.0
O G:VAL25 4.5 72.3 1.0
CD G:PRO27 4.6 67.2 1.0
N G:TYR445 4.6 53.8 1.0
C5 E:P68502 4.6 68.5 1.0
CG G:PRO27 4.8 65.7 1.0
OG E:SER257 4.9 82.9 1.0
CE1 E:HIS254 4.9 62.9 1.0
CA E:HIS254 4.9 62.5 1.0
CB E:SER257 4.9 80.3 1.0

Bromine binding site 6 out of 8 in 4my1

Go back to Bromine Binding Sites List in 4my1
Bromine binding site 6 out of 8 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br503

b:0.1
occ:1.00
 BR1 E:P68503 0.0 0.1 1.0
C8 E:P68503 1.9 61.1 1.0
C9 E:P68503 2.9 61.1 1.0
C7 E:P68503 2.9 61.1 1.0
C E:GLY444 3.4 63.8 1.0
O E:GLY444 3.5 66.6 1.0
CA E:GLY444 3.5 63.4 1.0
CD2 F:HIS254 3.8 57.0 1.0
O E:VAL25 3.8 72.1 1.0
OG E:SER23 3.9 79.4 1.0
N E:TYR445 4.0 61.6 1.0
CB F:HIS254 4.1 57.9 1.0
C10 E:P68503 4.2 61.2 1.0
C6 E:P68503 4.2 61.2 1.0
CG F:HIS254 4.3 56.8 1.0
CD E:PRO27 4.5 67.0 1.0
CB E:SER23 4.5 79.1 1.0
CD2 E:LEU26 4.6 70.1 1.0
C5 E:P68503 4.7 61.3 1.0
CA E:TYR445 4.7 62.6 1.0
CG E:PRO27 4.9 65.8 1.0
N E:GLY444 4.9 60.8 1.0
NE2 F:HIS254 5.0 56.9 1.0
C E:VAL25 5.0 73.0 1.0

Bromine binding site 7 out of 8 in 4my1

Go back to Bromine Binding Sites List in 4my1
Bromine binding site 7 out of 8 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br501

b:0.6
occ:1.00
 BR1 G:P68501 0.0 0.6 1.0
C8 G:P68501 1.9 60.3 1.0
C7 G:P68501 2.8 60.3 1.0
C9 G:P68501 2.9 60.3 1.0
CD2 G:HIS254 3.7 54.6 1.0
CB G:HIS254 3.8 53.7 1.0
O H:VAL25 3.9 67.9 1.0
O H:GLY444 3.9 55.3 1.0
C H:GLY444 3.9 54.0 1.0
CA H:GLY444 4.1 53.6 1.0
CG G:HIS254 4.1 54.0 1.0
C6 G:P68501 4.1 60.2 1.0
C10 G:P68501 4.1 60.2 1.0
OG H:SER23 4.2 64.0 1.0
CD H:PRO27 4.3 64.6 1.0
N H:TYR445 4.5 53.1 1.0
CG H:PRO27 4.6 63.2 1.0
CB H:SER23 4.6 64.5 1.0
C5 G:P68501 4.7 60.1 1.0
CD2 H:LEU26 4.7 67.0 1.0
CB G:SER257 5.0 68.2 1.0
C H:VAL25 5.0 69.2 1.0

Bromine binding site 8 out of 8 in 4my1

Go back to Bromine Binding Sites List in 4my1
Bromine binding site 8 out of 8 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br501

b:0.6
occ:1.00
 BR1 H:P68501 0.0 0.6 1.0
C8 H:P68501 1.9 56.2 1.0
C9 H:P68501 2.8 56.2 1.0
C7 H:P68501 2.9 56.2 1.0
C F:GLY444 3.7 47.0 1.0
CA F:GLY444 3.7 47.1 1.0
O F:VAL25 3.7 58.6 1.0
CB H:HIS254 3.8 53.0 1.0
O F:GLY444 3.9 47.0 1.0
CD2 H:HIS254 3.9 49.6 1.0
CD F:PRO27 3.9 55.8 1.0
C10 H:P68501 4.1 56.2 1.0
N F:TYR445 4.1 47.0 1.0
CG H:HIS254 4.1 50.5 1.0
C6 H:P68501 4.1 56.1 1.0
OG F:SER23 4.5 58.9 1.0
CD2 F:LEU26 4.5 65.3 1.0
CA F:LEU26 4.6 59.5 1.0
C5 H:P68501 4.6 56.1 1.0
C F:VAL25 4.8 60.1 1.0
CB F:SER23 4.9 58.7 1.0
CA F:TYR445 4.9 47.0 1.0
N F:PRO27 4.9 56.1 1.0
CG F:PRO27 4.9 55.0 1.0

Reference:

Y.Kim, M.Makowska-Grzyska, M.Gu, W.F.Anderson, A.Joachimiak, Csgid. Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ames Complexed with P68 To Be Published 2013.
Page generated: Wed Jul 10 22:04:06 2024

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