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Chlorine in PDB 4myx: Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32

Enzymatic activity of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32

All present enzymatic activity of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32:
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. Ame Complexed with P32, PDB code: 4myx 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) 41.90 / 2.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 85.365, 89.820, 104.502, 81.41, 90.42, 83.50
R / Rfree (%) 21.8 / 26

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 (pdb code 4myx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32, PDB code: 4myx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4myx

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Chlorine 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. Ame Complexed with P32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:58.5
occ:1.00
 CL1 A:2F0502 0.0 58.5 1.0
C8 A:2F0502 1.8 38.1 1.0
C9 A:2F0502 2.7 37.6 1.0
C7 A:2F0502 2.7 39.1 1.0
O1 A:2F0502 2.8 41.7 1.0
C11 A:2F0502 3.0 40.8 1.0
O C:GLY444 3.6 39.6 1.0
C C:GLY444 3.6 39.2 1.0
CB A:HIS254 3.8 46.3 1.0
CA C:GLY444 3.9 41.4 1.0
C10 A:2F0502 4.0 37.4 1.0
C6 A:2F0502 4.0 39.1 1.0
CD C:PRO27 4.1 56.9 1.0
CD2 A:HIS254 4.1 49.7 1.0
N3 A:2F0502 4.2 41.4 1.0
N C:TYR445 4.2 37.0 1.0
O C:VAL25 4.2 56.3 1.0
CG A:HIS254 4.2 47.3 1.0
C5 A:2F0502 4.5 39.7 1.0
OG C:SER23 4.6 41.0 1.0
CA C:TYR445 4.8 34.8 1.0
CG C:PRO27 4.8 53.9 1.0
N C:PRO27 5.0 58.0 1.0

Chlorine binding site 2 out of 8 in 4myx

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Chlorine 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. Ame Complexed with P32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:41.6
occ:1.00
 CL1 B:2F0501 0.0 41.6 1.0
C8 B:2F0501 1.8 50.9 1.0
C9 B:2F0501 2.7 50.9 1.0
C7 B:2F0501 2.7 53.1 1.0
C11 B:2F0501 3.0 55.5 1.0
O1 B:2F0501 3.1 56.1 1.0
O A:GLY444 3.4 41.9 1.0
C A:GLY444 3.5 41.0 1.0
CB B:HIS254 3.7 36.6 1.0
CA A:GLY444 3.8 40.9 1.0
N3 B:2F0501 3.9 55.8 1.0
CD2 B:HIS254 3.9 36.4 1.0
C10 B:2F0501 4.0 51.6 1.0
C6 B:2F0501 4.0 52.6 1.0
CG B:HIS254 4.1 34.6 1.0
N A:TYR445 4.1 39.2 1.0
CD A:PRO27 4.1 43.0 1.0
O A:VAL25 4.3 54.0 1.0
CG A:PRO27 4.4 41.5 1.0
OG A:SER23 4.4 47.8 1.0
C5 B:2F0501 4.5 52.5 1.0
CA A:TYR445 4.6 39.0 1.0
CB A:SER23 4.9 46.2 1.0
CD1 A:TYR445 4.9 43.8 1.0

Chlorine binding site 3 out of 8 in 4myx

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Chlorine 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. Ame Complexed with P32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:43.9
occ:1.00
 CL1 C:2F0503 0.0 43.9 1.0
C8 C:2F0503 1.8 47.4 1.0
C9 C:2F0503 2.7 46.1 1.0
C7 C:2F0503 2.7 48.4 1.0
C11 C:2F0503 3.0 51.1 1.0
O1 C:2F0503 3.3 51.2 1.0
O D:GLY444 3.4 42.1 1.0
C D:GLY444 3.5 41.1 1.0
CD2 C:HIS254 3.7 50.2 1.0
N3 C:2F0503 3.7 52.9 1.0
CB C:HIS254 3.7 49.2 1.0
CA D:GLY444 3.8 41.9 1.0
C10 C:2F0503 4.0 45.5 1.0
C6 C:2F0503 4.0 46.4 1.0
CG C:HIS254 4.0 48.6 1.0
CG D:PRO27 4.0 47.5 1.0
CD D:PRO27 4.0 49.5 1.0
N D:TYR445 4.1 38.5 1.0
OG D:SER23 4.5 53.3 1.0
C5 C:2F0503 4.5 46.0 1.0
O D:VAL25 4.5 56.8 1.0
CA D:TYR445 4.6 37.4 1.0
NE2 C:HIS254 4.9 49.7 1.0
CB D:SER23 5.0 54.1 1.0

Chlorine binding site 4 out of 8 in 4myx

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Chlorine 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. Ame Complexed with P32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:42.6
occ:1.00
 CL1 D:2F0501 0.0 42.6 1.0
C8 D:2F0501 1.8 35.2 1.0
C7 D:2F0501 2.7 36.3 1.0
C9 D:2F0501 2.7 34.4 1.0
O1 D:2F0501 2.9 41.7 1.0
C11 D:2F0501 3.0 39.2 1.0
O B:GLY444 3.3 33.4 1.0
C B:GLY444 3.4 32.1 1.0
CA B:GLY444 3.7 31.2 1.0
CB D:HIS254 3.8 45.7 1.0
CD2 D:HIS254 3.9 46.5 1.0
N B:TYR445 4.0 32.2 1.0
N3 D:2F0501 4.0 39.2 1.0
C10 D:2F0501 4.0 34.4 1.0
C6 D:2F0501 4.0 35.0 1.0
CD B:PRO27 4.0 48.4 1.0
CG B:PRO27 4.1 47.0 1.0
CG D:HIS254 4.1 45.3 1.0
O B:VAL25 4.5 48.4 1.0
C5 D:2F0501 4.5 35.5 1.0
CA B:TYR445 4.6 33.8 1.0
OG B:SER23 4.6 47.9 1.0
O B:ALA441 4.8 40.2 1.0
N B:GLY444 5.0 30.0 1.0

Chlorine binding site 5 out of 8 in 4myx

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Chlorine 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. Ame Complexed with P32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl502

b:54.3
occ:1.00
 CL1 E:2F0502 0.0 54.3 1.0
C8 E:2F0502 1.8 40.1 1.0
O1 E:2F0502 2.7 46.0 1.0
C7 E:2F0502 2.7 41.7 1.0
C9 E:2F0502 2.7 39.0 1.0
C11 E:2F0502 2.9 45.4 1.0
O F:GLY444 3.3 42.5 1.0
C F:GLY444 3.5 42.6 1.0
CA F:GLY444 3.8 40.8 1.0
CD2 E:HIS254 3.9 56.2 1.0
CB E:HIS254 4.0 51.3 1.0
C6 E:2F0502 4.0 39.9 1.0
C10 E:2F0502 4.0 38.9 1.0
CD F:PRO27 4.0 54.9 1.0
O F:VAL25 4.1 61.5 1.0
N3 E:2F0502 4.1 47.1 1.0
N F:TYR445 4.2 42.8 1.0
CG E:HIS254 4.3 52.8 1.0
CG F:PRO27 4.3 50.5 1.0
OG F:SER23 4.5 50.0 1.0
C5 E:2F0502 4.5 40.7 1.0
CA F:TYR445 4.7 44.8 1.0
O F:ALA441 4.9 35.9 1.0
N F:PRO27 5.0 56.4 1.0

Chlorine binding site 6 out of 8 in 4myx

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Chlorine 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. Ame Complexed with P32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl509

b:39.2
occ:1.00
 CL1 E:2F0509 0.0 39.2 1.0
C8 E:2F0509 1.8 51.6 1.0
C9 E:2F0509 2.7 51.2 1.0
C7 E:2F0509 2.7 53.6 1.0
C11 E:2F0509 3.1 55.8 1.0
O1 E:2F0509 3.1 56.4 1.0
C E:GLY444 3.5 41.5 1.0
CA E:GLY444 3.6 40.9 1.0
O E:GLY444 3.7 42.0 1.0
CD E:PRO27 3.8 42.0 1.0
N E:TYR445 3.9 40.0 1.0
O E:VAL25 4.0 54.9 1.0
N3 E:2F0509 4.0 55.7 1.0
C10 E:2F0509 4.0 51.4 1.0
C6 E:2F0509 4.0 53.3 1.0
CB G:HIS254 4.1 50.8 1.0
CD2 G:HIS254 4.1 53.4 1.0
CG E:PRO27 4.1 40.3 1.0
CG G:HIS254 4.4 52.5 1.0
OG E:SER23 4.4 49.1 1.0
C5 E:2F0509 4.5 52.7 1.0
CA E:TYR445 4.6 41.2 1.0
N E:PRO27 4.7 43.8 1.0
CB E:SER23 4.8 48.4 1.0
CA E:LEU26 4.9 48.1 1.0
O E:ALA441 4.9 44.6 1.0
N E:GLY444 4.9 39.7 1.0
CD1 E:TYR445 5.0 43.9 1.0

Chlorine binding site 7 out of 8 in 4myx

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Chlorine 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. Ame Complexed with P32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl502

b:67.2
occ:1.00
 CL1 F:2F0502 0.0 67.2 1.0
C8 F:2F0502 1.8 51.6 1.0
C9 F:2F0502 2.7 50.2 1.0
C7 F:2F0502 2.8 52.4 1.0
C11 F:2F0502 3.1 53.9 1.0
O H:GLY444 3.6 46.4 1.0
O1 F:2F0502 3.6 55.2 1.0
C H:GLY444 3.6 46.1 1.0
N3 F:2F0502 3.7 54.3 1.0
CA H:GLY444 3.8 47.1 1.0
CD H:PRO27 3.9 51.5 1.0
CG H:PRO27 4.0 50.7 1.0
C10 F:2F0502 4.0 49.7 1.0
CB F:HIS254 4.0 50.6 1.0
C6 F:2F0502 4.0 51.0 1.0
O H:VAL25 4.2 59.1 1.0
CD2 F:HIS254 4.3 48.0 1.0
N H:TYR445 4.3 44.5 1.0
CG F:HIS254 4.5 48.1 1.0
C5 F:2F0502 4.5 50.0 1.0
OG F:SER257 4.7 62.5 1.0
OG H:SER23 4.7 58.0 1.0
N H:PRO27 4.8 53.5 1.0
CA H:TYR445 4.9 44.5 1.0

Chlorine binding site 8 out of 8 in 4myx

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Chlorine 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. Ame Complexed with P32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl505

b:50.0
occ:1.00
 CL1 H:2F0505 0.0 50.0 1.0
C8 H:2F0505 1.8 53.8 1.0
C7 H:2F0505 2.7 54.2 1.0
O1 H:2F0505 2.7 56.0 1.0
C9 H:2F0505 2.8 52.2 1.0
C11 H:2F0505 2.9 55.6 1.0
O G:GLY444 3.7 47.7 1.0
C G:GLY444 3.7 46.2 1.0
N3 H:2F0505 3.9 55.5 1.0
CB H:HIS254 3.9 49.3 1.0
CA G:GLY444 4.0 43.1 1.0
C6 H:2F0505 4.0 52.0 1.0
C10 H:2F0505 4.0 51.3 1.0
CD2 H:HIS254 4.1 52.3 1.0
CD G:PRO27 4.1 58.1 1.0
N G:TYR445 4.2 44.0 1.0
O G:VAL25 4.3 57.8 1.0
CG G:PRO27 4.3 56.7 1.0
CG H:HIS254 4.3 50.2 1.0
OG G:SER23 4.5 56.0 1.0
C5 H:2F0505 4.5 51.1 1.0
CA G:TYR445 4.8 41.7 1.0
CD1 G:TYR445 4.9 43.8 1.0

Reference:

Y.Kim, M.Makowska-Grzyska, M.Gu, W.F.Anderson, A.Joachimiak. Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with A Internal Deletion of Cbs Domain From Bacillus Anthracis Str. Ame Complexed with P32 To Be Published 2013.
Page generated: Sun Jul 21 20:23:04 2024

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