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Chlorine in PDB 4mz8: Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91

Enzymatic activity of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91

All present enzymatic activity of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91:
1.1.1.205;

Protein crystallography data

The structure of Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91, PDB code: 4mz8 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) 39.23 / 2.50
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.460, 114.460, 256.314, 90.00, 90.00, 120.00
R / Rfree (%) 17.6 / 21.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91 (pdb code 4mz8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91, PDB code: 4mz8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4mz8

Go back to Chlorine Binding Sites List in 4mz8
Chlorine binding site 1 out of 5 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91


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 An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl508

b:70.1
occ:0.68
O B:HOH710 3.2 62.7 0.6
OG1 A:THR460 3.5 47.5 1.0
OG1 B:THR460 3.5 45.2 1.0
O B:HOH708 4.0 41.6 1.0
CB B:THR460 4.3 40.9 1.0
CB A:THR460 4.3 43.5 1.0
CG2 A:THR460 4.8 38.8 1.0
CG2 B:THR460 4.8 33.5 1.0

Chlorine binding site 2 out of 5 in 4mz8

Go back to Chlorine Binding Sites List in 4mz8
Chlorine binding site 2 out of 5 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91


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 An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:85.0
occ:1.00
N B:TYR19 3.4 52.5 1.0
CA B:GLY18 3.9 39.1 1.0
CE1 A:HIS249 3.9 41.9 1.0
C B:GLY18 4.1 54.7 1.0
CB B:TYR19 4.1 49.2 1.0
CA B:TYR19 4.4 47.2 1.0
ND1 A:HIS249 4.4 41.4 1.0
CB A:ALA278 4.5 35.8 1.0
NE2 A:HIS249 4.9 48.6 1.0

Chlorine binding site 3 out of 5 in 4mz8

Go back to Chlorine Binding Sites List in 4mz8
Chlorine binding site 3 out of 5 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91


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 An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:81.9
occ:1.00
NH2 C:ARG80 2.9 99.7 1.0
NE C:ARG84 3.4 78.2 1.0
NH2 C:ARG84 3.6 79.4 1.0
CZ C:ARG80 3.7 97.3 1.0
CZ C:ARG84 3.9 79.1 1.0
NE C:ARG80 4.2 89.5 1.0
CG C:ARG84 4.3 68.5 1.0
CD C:ARG84 4.4 73.5 1.0
NH1 C:ARG80 4.5 0.1 1.0

Chlorine binding site 4 out of 5 in 4mz8

Go back to Chlorine Binding Sites List in 4mz8
Chlorine binding site 4 out of 5 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91


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 An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl505

b:88.7
occ:1.00
NH1 C:ARG62 3.6 75.8 1.0
NH2 C:ARG62 3.8 78.3 1.0
CZ C:ARG62 4.2 77.4 1.0

Chlorine binding site 5 out of 5 in 4mz8

Go back to Chlorine Binding Sites List in 4mz8
Chlorine binding site 5 out of 5 in the Crystal Structure of the Inosine 5'-Monophosphate Dehydrogenase, with An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91


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 An Internal Deletion of Cbs Domain From Campylobacter Jejuni Complexed with Inhibitor Compound C91 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:79.8
occ:0.69
OG1 D:THR460 2.7 90.6 1.0
OG1 C:THR460 3.3 76.5 1.0
CG2 D:THR460 3.6 83.0 1.0
O D:HOH605 3.7 64.8 1.0
CB D:THR460 3.7 82.9 1.0
CB C:THR460 4.0 73.8 1.0
CG2 C:THR460 4.6 69.1 1.0
CA D:THR460 4.9 78.3 1.0
N D:THR460 5.0 74.2 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 Campylobacter Jejuni Complexed with Inhibitor Compound C91 To Be Published.
Page generated: Sun Jul 21 20:23:03 2024

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