Atomistry » Bromine » PDB 4kvh-4my6 » 4my1
Atomistry »
  Bromine »
    PDB 4kvh-4my6 »
      4my1 »

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

Go back to Bromine Binding Sites List in 4my1
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

Go back to Bromine Binding Sites List in 4my1
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

Go back to Bromine Binding Sites List in 4my1
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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy