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Chlorine in PDB 6mgr: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate:
1.1.1.205;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate, PDB code: 6mgr was solved by Y.Kim, N.Maltseva, R.Yu, L.Hedstrom, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.28 / 1.97
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.343, 119.592, 119.307, 90.00, 89.99, 90.00
R / Rfree (%) 17.3 / 20.2

Other elements in 6mgr:

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate also contains other interesting chemical elements:

Potassium (K) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate (pdb code 6mgr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate, PDB code: 6mgr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 6mgr

Go back to Chlorine Binding Sites List in 6mgr
Chlorine binding site 1 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


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 Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:0.6
occ:1.00
OG1 B:THR460 3.6 67.0 1.0
CG2 A:THR460 3.6 61.9 1.0
OG1 C:THR460 3.7 65.9 1.0
O B:HOH685 3.8 55.0 1.0
OG1 D:THR460 3.8 63.9 1.0
O A:HOH686 3.9 63.3 1.0
O D:HOH685 3.9 58.1 1.0
O C:HOH684 4.0 58.2 1.0
CB B:THR460 4.5 64.0 1.0
OG1 A:THR460 4.6 70.9 1.0
CB C:THR460 4.6 65.6 1.0
CB D:THR460 4.7 64.0 1.0
CB A:THR460 4.8 63.0 1.0

Chlorine binding site 2 out of 10 in 6mgr

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Chlorine binding site 2 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


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 Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:94.0
occ:1.00
O A:HOH673 3.2 57.1 1.0
NH2 A:ARG229 3.5 57.0 1.0
NE2 A:GLN226 3.5 58.9 1.0
NE A:ARG229 3.6 56.6 1.0
CD A:GLN226 3.9 57.5 1.0
CD1 A:ILE75 3.9 76.4 1.0
CZ A:ARG229 4.0 55.3 1.0
CG A:GLN226 4.1 55.8 1.0
CG1 A:ILE75 4.1 73.0 1.0
O A:HOH684 4.3 63.9 1.0
CB A:ARG229 4.5 55.9 1.0
CB A:GLN226 4.5 57.4 1.0
OE1 A:GLN226 4.6 59.0 1.0
CD A:ARG229 4.7 55.7 1.0

Chlorine binding site 3 out of 10 in 6mgr

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Chlorine binding site 3 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


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 Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:97.6
occ:1.00
OG A:SER422 3.3 65.1 1.0
CB A:SER422 4.0 64.3 1.0
CB A:SER425 4.8 65.0 1.0

Chlorine binding site 4 out of 10 in 6mgr

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Chlorine binding site 4 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


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 Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:83.6
occ:1.00
CG2 A:THR38 3.4 60.8 1.0
NH2 A:ARG217 3.5 61.9 1.0
O A:HOH646 3.5 58.1 1.0
N A:THR38 3.7 50.6 1.0
CB A:THR38 3.8 60.2 1.0
O A:ASN36 4.0 66.9 1.0
CA A:THR38 4.4 56.1 1.0
CA A:ILE37 4.4 49.7 1.0
C A:ILE37 4.5 54.3 1.0
CZ A:ARG217 4.7 62.5 1.0
C A:ASN36 4.9 59.6 1.0
O A:THR38 5.0 58.1 1.0

Chlorine binding site 5 out of 10 in 6mgr

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Chlorine binding site 5 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


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 Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl510

b:92.5
occ:1.00
OG1 B:THR38 2.8 66.5 1.0
O B:HOH634 3.2 60.4 1.0
NH2 B:ARG217 3.4 63.4 1.0
N B:THR38 3.4 49.1 1.0
CB B:THR38 3.8 60.0 1.0
CG2 B:THR38 4.0 56.8 1.0
O B:ASN36 4.0 61.2 1.0
CA B:THR38 4.2 56.8 1.0
CA B:ILE37 4.2 53.8 1.0
C B:ILE37 4.3 52.6 1.0
CZ B:ARG217 4.6 63.2 1.0
O B:THR38 4.8 61.9 1.0
C B:ASN36 4.9 58.6 1.0
C B:THR38 4.9 59.1 1.0
N B:ILE37 5.0 55.3 1.0
NE B:ARG217 5.0 62.2 1.0

Chlorine binding site 6 out of 10 in 6mgr

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Chlorine binding site 6 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


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 Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:93.0
occ:1.00
O C:HOH685 3.3 59.7 1.0
NH2 C:ARG229 3.5 63.5 1.0
NE C:ARG229 3.6 58.3 1.0
NE2 C:GLN226 3.8 59.7 1.0
CD C:GLN226 3.9 58.1 1.0
CZ C:ARG229 4.0 60.6 1.0
CG C:GLN226 4.0 59.3 1.0
CD1 C:ILE75 4.2 62.4 1.0
CG1 C:ILE75 4.2 61.4 1.0
O C:HOH691 4.4 68.3 1.0
CB C:GLN226 4.5 60.0 1.0
CB C:ARG229 4.5 53.8 1.0
OE1 C:GLN226 4.5 58.3 1.0
CD C:ARG229 4.8 56.8 1.0

Chlorine binding site 7 out of 10 in 6mgr

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Chlorine binding site 7 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


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 Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl506

b:94.5
occ:1.00
OG1 D:THR38 3.1 63.3 1.0
O D:HOH645 3.2 60.6 1.0
NH2 D:ARG217 3.3 61.4 1.0
N D:THR38 3.6 52.2 1.0
O D:ASN36 4.0 59.6 1.0
CB D:THR38 4.1 57.9 1.0
CG2 D:THR38 4.1 54.0 1.0
CA D:ILE37 4.3 52.0 1.0
CA D:THR38 4.4 56.7 1.0
C D:ILE37 4.5 55.1 1.0
CZ D:ARG217 4.6 61.1 1.0
O D:THR38 4.7 62.9 1.0
C D:ASN36 4.9 57.6 1.0

Chlorine binding site 8 out of 10 in 6mgr

Go back to Chlorine Binding Sites List in 6mgr
Chlorine binding site 8 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


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 Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl507

b:94.1
occ:1.00
O D:HOH672 3.4 63.0 1.0
NH2 D:ARG229 3.4 59.5 1.0
NE D:ARG229 3.7 56.3 1.0
NE2 D:GLN226 3.7 61.7 1.0
CD1 D:ILE75 3.9 66.8 1.0
CZ D:ARG229 4.0 56.9 1.0
CG1 D:ILE75 4.0 65.1 1.0
CD D:GLN226 4.1 59.9 1.0
CG D:GLN226 4.3 56.5 1.0
O D:HOH674 4.3 66.1 1.0
CB D:ARG229 4.6 57.0 1.0
CB D:GLN226 4.7 53.9 1.0
OE1 D:GLN226 4.8 61.6 1.0
CD D:ARG229 4.8 54.1 1.0

Chlorine binding site 9 out of 10 in 6mgr

Go back to Chlorine Binding Sites List in 6mgr
Chlorine binding site 9 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl508

b:0.3
occ:1.00
NH2 D:ARG62 3.2 69.2 1.0
NZ D:LYS201 3.3 0.6 1.0
O D:HOH688 3.6 93.7 1.0
NH1 D:ARG62 4.0 75.3 1.0
CE D:LYS201 4.1 0.3 1.0
CZ D:ARG62 4.1 72.1 1.0

Chlorine binding site 10 out of 10 in 6mgr

Go back to Chlorine Binding Sites List in 6mgr
Chlorine binding site 10 out of 10 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl509

b:95.3
occ:1.00
OG D:SER422 3.4 65.8 1.0
CB D:SER422 4.1 65.5 1.0
CB D:SER425 4.9 65.3 1.0

Reference:

Y.Kim, N.Maltseva, R.Yu, L.Hedstrom, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate To Be Published.
Page generated: Sun Jul 28 03:13:15 2024

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