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Chlorine in PDB 5uxe: Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178

Enzymatic activity of Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178

All present enzymatic activity of Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178:
1.1.1.205;

Protein crystallography data

The structure of Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178, PDB code: 5uxe was solved by N.Maltseva, Y.Kim, R.Mulligan, M.Makowska-Grzyska, M.Gu, D.R.Gollapalli, L.Hedstrom, A.Joachimiak, W.F.Anderson, Center For Structural Genomicsof Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.25 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 127.937, 119.101, 96.971, 90.00, 102.86, 90.00
R / Rfree (%) 17.3 / 22.3

Other elements in 5uxe:

The structure of Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178 also contains other interesting chemical elements:

Potassium (K) 3 atoms

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 P178 (pdb code 5uxe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178, PDB code: 5uxe:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5uxe

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Chlorine binding site 1 out of 4 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178


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 P178 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:61.4
occ:1.00
 CL A:8LA501 0.0 61.4 1.0
C20 A:8LA501 1.8 54.1 1.0
C19 A:8LA501 2.8 51.0 1.0
C21 A:8LA501 2.9 50.2 1.0
C24 A:8LA501 3.2 48.8 1.0
C C:GLY439 3.2 33.4 1.0
O1 A:8LA501 3.2 47.2 1.0
O C:GLY439 3.3 34.8 1.0
CA C:GLY439 3.4 36.0 1.0
CD2 A:HIS249 3.7 33.2 1.0
O3 A:8LA501 3.7 53.8 1.0
N C:TYR440 3.8 33.6 1.0
O C:VAL23 4.0 52.0 1.0
CD C:PRO25 4.0 43.0 1.0
CB A:HIS249 4.0 37.4 1.0
C18 A:8LA501 4.1 50.5 1.0
C22 A:8LA501 4.1 50.3 1.0
OG C:SER21 4.2 40.0 1.0
CG A:HIS249 4.2 31.2 1.0
CG C:PRO25 4.3 43.1 1.0
CA C:TYR440 4.4 32.1 1.0
C25 A:8LA501 4.6 45.8 1.0
C17 A:8LA501 4.6 50.2 1.0
CB C:SER21 4.7 34.5 1.0
N C:GLY439 4.8 34.8 1.0
NE2 A:HIS249 4.9 29.5 1.0
N C:PRO25 5.0 45.5 1.0

Chlorine binding site 2 out of 4 in 5uxe

Go back to Chlorine Binding Sites List in 5uxe
Chlorine binding site 2 out of 4 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178


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 P178 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:54.5
occ:1.00
 CL B:8LA502 0.0 54.5 1.0
C20 B:8LA502 1.8 44.2 1.0
C19 B:8LA502 2.8 41.0 1.0
C21 B:8LA502 2.8 39.8 1.0
O1 B:8LA502 3.1 44.2 1.0
C24 B:8LA502 3.2 45.0 1.0
O A:GLY439 3.3 33.0 1.0
C A:GLY439 3.4 40.0 1.0
O A:VAL23 3.6 48.5 1.0
ND1 B:HIS249 3.6 31.7 1.0
CA A:GLY439 3.7 39.3 1.0
O3 B:8LA502 3.7 43.6 1.0
CB B:HIS249 4.0 35.0 1.0
N A:TYR440 4.0 36.9 1.0
C18 B:8LA502 4.1 37.6 1.0
CD A:PRO25 4.1 53.2 1.0
C22 B:8LA502 4.1 36.2 1.0
OG A:SER21 4.2 41.5 1.0
CG B:HIS249 4.3 28.9 1.0
CG A:PRO25 4.6 52.4 1.0
CA A:TYR440 4.6 33.8 1.0
C17 B:8LA502 4.6 35.5 1.0
CB A:SER21 4.6 42.9 1.0
C25 B:8LA502 4.7 44.1 1.0
CE1 B:HIS249 4.8 25.9 1.0
C A:VAL23 4.8 50.0 1.0
CA A:LEU24 5.0 50.4 1.0

Chlorine binding site 3 out of 4 in 5uxe

Go back to Chlorine Binding Sites List in 5uxe
Chlorine binding site 3 out of 4 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178


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 P178 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:47.1
occ:1.00
 CL C:8LA503 0.0 47.1 1.0
C20 C:8LA503 1.8 41.1 1.0
C19 C:8LA503 2.8 39.7 1.0
C21 C:8LA503 2.8 38.7 1.0
O1 C:8LA503 3.1 36.1 1.0
C24 C:8LA503 3.2 39.2 1.0
O D:GLY439 3.3 39.6 1.0
C D:GLY439 3.3 36.4 1.0
CA D:GLY439 3.6 34.8 1.0
O3 C:8LA503 3.7 41.5 1.0
ND1 C:HIS249 3.7 35.9 1.0
N D:TYR440 3.9 33.4 1.0
O D:VAL23 4.0 45.8 1.0
CD D:PRO25 4.0 42.3 1.0
C18 C:8LA503 4.1 39.4 1.0
CB C:HIS249 4.1 34.3 1.0
C22 C:8LA503 4.1 36.4 1.0
CG D:PRO25 4.3 41.3 1.0
OG D:SER21 4.3 38.6 1.0
CG C:HIS249 4.4 36.7 1.0
CA D:TYR440 4.5 38.4 1.0
C17 C:8LA503 4.6 37.9 1.0
C25 C:8LA503 4.6 43.1 1.0
CB D:SER21 4.8 40.7 1.0
CE1 C:HIS249 4.8 26.8 1.0
N D:PRO25 4.9 43.9 1.0
CA D:LEU24 4.9 51.0 1.0
N D:GLY439 4.9 36.3 1.0

Chlorine binding site 4 out of 4 in 5uxe

Go back to Chlorine Binding Sites List in 5uxe
Chlorine binding site 4 out of 4 in the Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178


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 P178 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:43.5
occ:1.00
 CL D:8LA503 0.0 43.5 1.0
C20 D:8LA503 1.8 31.4 1.0
C19 D:8LA503 2.8 29.3 1.0
C21 D:8LA503 2.9 33.3 1.0
O1 D:8LA503 3.1 34.2 1.0
C24 D:8LA503 3.2 39.4 1.0
O B:GLY439 3.3 26.1 1.0
C B:GLY439 3.3 28.4 1.0
CD2 D:HIS249 3.6 24.8 1.0
CA B:GLY439 3.6 29.1 1.0
O B:VAL23 3.7 35.0 1.0
O3 D:8LA503 3.7 41.9 1.0
N B:TYR440 3.9 29.4 1.0
CB D:HIS249 4.0 23.0 1.0
OG B:SER21 4.1 32.8 1.0
CD B:PRO25 4.1 35.0 1.0
C18 D:8LA503 4.1 30.7 1.0
CG D:HIS249 4.1 22.7 1.0
C22 D:8LA503 4.2 33.2 1.0
CG B:PRO25 4.4 33.5 1.0
CB B:SER21 4.5 28.6 1.0
CA B:TYR440 4.5 27.7 1.0
C25 D:8LA503 4.6 39.9 1.0
C17 D:8LA503 4.6 30.3 1.0
NE2 D:HIS249 4.8 21.9 1.0
N B:PRO25 4.8 29.1 1.0
C B:VAL23 4.9 37.3 1.0
CA B:LEU24 4.9 39.5 1.0
N B:GLY439 5.0 30.7 1.0

Reference:

N.Maltseva, Y.Kim, R.Mulligan, M.Makowska-Grzyska, M.Gu, D.R.Gollapalli, L.Hedstrom, A.Joachimiak, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Inosine 5'-Monophosphate Dehydrogenase From Clostridium Perfringens Complexed with Imp and P178 To Be Published.
Page generated: Fri Jul 26 18:26:26 2024

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