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Chlorine in PDB 4q33: Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110

Enzymatic activity of Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110

All present enzymatic activity of Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110:
1.1.1.205;

Protein crystallography data

The structure of Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110, PDB code: 4q33 was solved by N.Maltseva, Y.Kim, M.Makowska-Grzyska, R.Mulligan, M.Gu, M.Zhang, K.Mandapati, D.R.Gollapalli, S.K.Gorla, L.Hedstrom, W.F.Anderson, A.Joachimiak, Center For 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) 37.21 / 2.88
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 88.121, 89.247, 99.185, 70.82, 72.66, 79.30
R / Rfree (%) 18.5 / 24.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 (pdb code 4q33). 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 Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110, PDB code: 4q33:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4q33

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Chlorine binding site 1 out of 8 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110


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 Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:65.6
occ:1.00
 CL1 A:2YA501 0.0 65.6 1.0
C19 A:2YA501 1.8 49.6 1.0
C18 A:2YA501 2.8 49.1 1.0
C20 A:2YA501 2.8 50.2 1.0
C C:GLY439 3.3 43.4 1.0
O C:GLY439 3.3 45.4 1.0
CB A:HIS249 3.5 45.2 1.0
N C:TYR440 3.5 38.0 1.0
CA C:GLY439 3.8 45.6 1.0
CG A:HIS249 3.9 41.3 1.0
CA C:TYR440 4.0 35.5 1.0
CD2 A:HIS249 4.0 41.6 1.0
C17 A:2YA501 4.1 50.7 1.0
C21 A:2YA501 4.1 51.1 1.0
CG C:PRO25 4.2 51.0 1.0
CD C:PRO25 4.2 48.1 1.0
O C:SER436 4.3 42.8 1.0
CG C:TYR440 4.3 44.6 1.0
CD1 C:TYR440 4.4 38.6 1.0
CD2 C:TYR440 4.6 38.9 1.0
C16 A:2YA501 4.6 52.8 1.0
CE1 C:TYR440 4.7 40.6 1.0
CB C:TYR440 4.7 34.7 1.0
CE2 C:TYR440 4.9 40.5 1.0
O C:VAL23 4.9 51.3 1.0
CA A:HIS249 4.9 45.9 1.0
CZ C:TYR440 4.9 40.4 1.0
N C:GLY439 4.9 43.8 1.0

Chlorine binding site 2 out of 8 in 4q33

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Chlorine binding site 2 out of 8 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110


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 Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:64.9
occ:1.00
 CL1 B:2YA502 0.0 64.9 1.0
C19 B:2YA502 1.8 65.6 1.0
C18 B:2YA502 2.8 69.9 1.0
C20 B:2YA502 2.8 62.0 1.0
O A:GLY439 3.2 44.4 1.0
C A:GLY439 3.2 41.0 1.0
CD2 B:HIS249 3.6 55.1 1.0
CA A:GLY439 3.6 40.4 1.0
N A:TYR440 3.7 38.7 1.0
CB B:HIS249 3.9 52.8 1.0
CG B:HIS249 4.0 53.9 1.0
C17 B:2YA502 4.1 68.3 1.0
C21 B:2YA502 4.1 61.8 1.0
O A:SER436 4.2 37.0 1.0
CA A:TYR440 4.2 39.9 1.0
CD A:PRO25 4.2 71.2 1.0
CG A:PRO25 4.3 69.9 1.0
O A:VAL23 4.3 55.9 1.0
CD1 A:TYR440 4.4 45.4 1.0
CG A:TYR440 4.5 41.6 1.0
CE1 A:TYR440 4.6 51.9 1.0
C16 B:2YA502 4.6 66.2 1.0
N A:GLY439 4.7 38.8 1.0
CD2 A:TYR440 4.7 48.2 1.0
NE2 B:HIS249 4.8 55.0 1.0
CZ A:TYR440 4.8 55.5 1.0
CE2 A:TYR440 4.9 53.2 1.0
CB A:TYR440 4.9 37.2 1.0
OG A:SER21 5.0 51.3 1.0

Chlorine binding site 3 out of 8 in 4q33

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Chlorine binding site 3 out of 8 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110


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 Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:69.1
occ:1.00
 CL1 B:2YA503 0.0 69.1 1.0
C19 B:2YA503 1.8 64.7 1.0
C18 B:2YA503 2.8 64.6 1.0
C20 B:2YA503 2.8 63.2 1.0
C B:GLY439 3.2 52.6 1.0
O B:GLY439 3.3 50.0 1.0
N B:TYR440 3.5 55.1 1.0
CA B:GLY439 3.7 48.9 1.0
CD2 D:HIS249 3.9 62.2 1.0
CD B:PRO25 4.0 71.0 1.0
CB D:HIS249 4.0 62.9 1.0
CA B:TYR440 4.1 51.4 1.0
C17 B:2YA503 4.1 65.6 1.0
C21 B:2YA503 4.1 64.7 1.0
CG D:HIS249 4.3 60.0 1.0
CG B:PRO25 4.4 66.7 1.0
O B:SER436 4.5 51.6 1.0
O B:VAL23 4.5 60.2 1.0
OG B:SER21 4.5 63.9 1.0
C16 B:2YA503 4.6 68.6 1.0
CG B:TYR440 4.6 51.7 1.0
CD2 B:LEU24 4.8 60.5 1.0
CD1 B:TYR440 4.8 50.2 1.0
N B:GLY439 4.9 46.8 1.0
CD2 B:TYR440 4.9 56.2 1.0
CB B:TYR440 4.9 50.0 1.0

Chlorine binding site 4 out of 8 in 4q33

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Chlorine binding site 4 out of 8 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110


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 Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:91.3
occ:1.00
 CL1 C:2YA501 0.0 91.3 1.0
C19 C:2YA501 1.8 66.1 1.0
C18 C:2YA501 2.8 65.8 1.0
C20 C:2YA501 2.8 63.4 1.0
C D:GLY439 3.2 40.9 1.0
O D:GLY439 3.4 44.0 1.0
N D:TYR440 3.5 40.4 1.0
CA D:GLY439 3.6 41.5 1.0
CB C:HIS249 3.9 49.7 1.0
CA D:TYR440 4.0 42.5 1.0
C17 C:2YA501 4.1 64.0 1.0
C21 C:2YA501 4.1 61.6 1.0
CD2 C:HIS249 4.1 51.9 1.0
O D:SER436 4.2 44.7 1.0
CD D:PRO25 4.3 55.2 1.0
CD1 D:TYR440 4.3 45.0 1.0
CG D:TYR440 4.3 41.4 1.0
CG C:HIS249 4.3 49.0 1.0
CG D:PRO25 4.4 50.2 1.0
CE1 D:TYR440 4.6 50.2 1.0
CD2 D:TYR440 4.6 40.4 1.0
C16 C:2YA501 4.6 63.7 1.0
CB D:TYR440 4.7 43.8 1.0
N D:GLY439 4.8 43.2 1.0
CZ D:TYR440 4.8 46.8 1.0
CE2 D:TYR440 4.8 43.8 1.0
O D:VAL23 4.9 59.2 1.0

Chlorine binding site 5 out of 8 in 4q33

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Chlorine binding site 5 out of 8 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110


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 Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl501

b:78.0
occ:1.00
 CL1 E:2YA501 0.0 78.0 1.0
C19 E:2YA501 1.8 69.5 1.0
C18 E:2YA501 2.8 68.2 1.0
C20 E:2YA501 2.8 65.1 1.0
O G:GLY439 3.1 40.2 1.0
C G:GLY439 3.2 37.0 1.0
CA G:GLY439 3.7 39.5 1.0
N G:TYR440 3.7 36.4 1.0
CD2 E:HIS249 3.8 63.0 1.0
CB E:HIS249 3.8 63.6 1.0
C17 E:2YA501 4.1 63.1 1.0
C21 E:2YA501 4.1 62.5 1.0
CG E:HIS249 4.1 62.4 1.0
CD G:PRO25 4.2 69.9 1.0
CA G:TYR440 4.2 37.1 1.0
O G:VAL23 4.3 60.2 1.0
CG G:PRO25 4.3 67.5 1.0
O G:SER436 4.6 36.6 1.0
C16 E:2YA501 4.6 64.8 1.0
OG G:SER21 4.7 47.2 1.0
CG G:TYR440 4.8 36.5 1.0
N G:GLY439 4.9 41.9 1.0
CD2 G:TYR440 5.0 35.0 1.0
N G:PRO25 5.0 69.2 1.0
CD1 G:TYR440 5.0 42.0 1.0

Chlorine binding site 6 out of 8 in 4q33

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Chlorine binding site 6 out of 8 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110


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 Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl501

b:64.4
occ:1.00
 CL1 F:2YA501 0.0 64.4 1.0
C19 F:2YA501 1.8 44.1 1.0
C18 F:2YA501 2.8 41.4 1.0
C20 F:2YA501 2.8 46.1 1.0
C E:GLY439 3.2 44.8 1.0
O E:GLY439 3.3 50.0 1.0
N E:TYR440 3.5 40.3 1.0
CA E:GLY439 3.7 46.5 1.0
CD2 F:HIS249 3.7 44.0 1.0
CB F:HIS249 3.8 43.0 1.0
CD E:PRO25 4.0 55.6 1.0
CG F:HIS249 4.0 40.7 1.0
C17 F:2YA501 4.1 42.1 1.0
C21 F:2YA501 4.1 46.9 1.0
CA E:TYR440 4.1 44.1 1.0
CG E:PRO25 4.4 45.2 1.0
CD1 E:TYR440 4.4 50.9 1.0
CG E:TYR440 4.5 50.3 1.0
O E:VAL23 4.5 44.0 1.0
O E:SER436 4.6 52.2 1.0
C16 F:2YA501 4.6 45.9 1.0
CE1 E:TYR440 4.7 51.7 1.0
N E:GLY439 4.8 50.5 1.0
CD2 E:TYR440 4.9 50.5 1.0
NE2 F:HIS249 4.9 46.5 1.0
CB E:TYR440 4.9 47.8 1.0

Chlorine binding site 7 out of 8 in 4q33

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Chlorine binding site 7 out of 8 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110


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 Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl501

b:65.7
occ:1.00
 CL1 G:2YA501 0.0 65.7 1.0
C19 G:2YA501 1.8 66.4 1.0
C18 G:2YA501 2.7 68.4 1.0
C20 G:2YA501 2.8 66.4 1.0
C H:GLY439 3.1 50.5 1.0
O H:GLY439 3.3 56.9 1.0
CA H:GLY439 3.5 53.6 1.0
N H:TYR440 3.5 42.2 1.0
CD2 G:HIS249 3.8 37.0 1.0
CD H:PRO25 3.9 56.6 1.0
CB G:HIS249 4.0 38.9 1.0
C17 G:2YA501 4.0 69.6 1.0
CA H:TYR440 4.1 39.9 1.0
C21 G:2YA501 4.1 67.8 1.0
CG G:HIS249 4.2 37.2 1.0
O H:VAL23 4.4 40.8 1.0
O H:SER436 4.6 49.5 1.0
C16 G:2YA501 4.6 70.8 1.0
CG H:PRO25 4.7 55.5 1.0
CG H:TYR440 4.7 39.0 1.0
N H:GLY439 4.7 54.3 1.0
OG H:SER21 4.8 39.9 1.0
C G:FMT502 4.8 44.4 1.0
CD1 H:TYR440 4.8 41.5 1.0
NE2 G:HIS249 4.9 37.3 1.0
CB H:TYR440 5.0 36.7 1.0
CD2 H:TYR440 5.0 40.1 1.0

Chlorine binding site 8 out of 8 in 4q33

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Chlorine binding site 8 out of 8 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110


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 Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl501

b:77.5
occ:1.00
 CL1 H:2YA501 0.0 77.5 1.0
C19 H:2YA501 1.8 54.9 1.0
C20 H:2YA501 2.8 53.2 1.0
C18 H:2YA501 2.8 55.5 1.0
C F:GLY439 3.5 41.6 1.0
O F:GLY439 3.5 43.7 1.0
CB H:HIS249 3.6 46.2 1.0
N F:TYR440 3.7 39.5 1.0
CD2 H:HIS249 3.9 55.3 1.0
C21 H:2YA501 4.1 57.1 1.0
C17 H:2YA501 4.1 58.5 1.0
CA F:TYR440 4.1 40.5 1.0
CG H:HIS249 4.1 53.0 1.0
CA F:GLY439 4.1 41.5 1.0
CG F:TYR440 4.5 35.4 1.0
CD F:PRO25 4.5 57.9 1.0
CD1 F:TYR440 4.5 36.2 1.0
C16 H:2YA501 4.6 62.6 1.0
CG F:PRO25 4.7 46.0 1.0
O F:SER436 4.7 35.5 1.0
CD2 F:TYR440 4.8 34.3 1.0
CE1 F:TYR440 4.8 40.5 1.0
CB F:TYR440 4.9 36.8 1.0
O F:VAL23 4.9 58.6 1.0
CA H:HIS249 5.0 42.6 1.0

Reference:

N.Maltseva, Y.Kim, M.Makowska-Grzyska, R.Mulligan, M.Gu, M.Zhang, K.Mandapati, D.R.Gollapalli, S.K.Gorla, L.Hedstrom, W.F.Anderson, A.Joachimiak. Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and A110 To Be Published.
Page generated: Fri Jul 26 00:16:21 2024

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