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Chlorine in PDB 3m6y: Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution.

Enzymatic activity of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution.

All present enzymatic activity of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution.:
4.1.3.16;

Protein crystallography data

The structure of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution., PDB code: 3m6y was solved by E.V.Filippova, G.Minasov, L.Shuvalova, O.Kiryukhina, S.Clancy, A.Joachimiak, F.W.Anderson, Midwest Center For Structural Genomics(Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 88.05 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.679, 106.187, 88.205, 90.00, 90.95, 90.00
R / Rfree (%) 15.2 / 18

Other elements in 3m6y:

The structure of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution. also contains other interesting chemical elements:

Calcium (Ca) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution. (pdb code 3m6y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution., PDB code: 3m6y:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3m6y

Go back to Chlorine Binding Sites List in 3m6y
Chlorine binding site 1 out of 6 in the Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl254

b:21.1
occ:1.00
 O A:HOH417 3.0 28.5 1.0
N A:LYS167 3.2 16.6 1.0
O A:HOH606 3.2 34.7 1.0
CA A:GLY193 3.4 11.5 1.0
C A:GLY193 3.4 12.0 1.0
CA A:LYS167 3.6 17.5 1.0
CB A:PRO165 3.6 14.9 1.0
N A:GLY194 3.7 11.3 1.0
O A:GLY193 3.8 13.2 1.0
CG A:LYS167 3.9 23.5 1.0
N A:MSE166 4.0 14.1 1.0
CA A:PRO165 4.1 14.0 1.0
C A:PRO165 4.2 15.2 1.0
O A:HOH1036 4.3 19.9 0.5
CB A:LYS167 4.3 18.7 1.0
C A:MSE166 4.4 15.9 1.0
CA A:GLY194 4.5 12.3 1.0
CA A:MSE166 4.7 15.1 0.5
CA A:MSE166 4.7 14.8 0.5
CE1 A:PHE164 4.8 18.1 1.0
N A:GLY193 4.8 10.2 1.0
O A:PRO165 4.8 16.8 1.0
C A:LYS167 4.8 17.4 1.0
CG A:PRO165 4.9 16.2 1.0
N A:GLY168 5.0 15.6 1.0

Chlorine binding site 2 out of 6 in 3m6y

Go back to Chlorine Binding Sites List in 3m6y
Chlorine binding site 2 out of 6 in the Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl255

b:24.9
occ:1.00
 O A:HOH272 2.8 24.4 1.0
O A:HOH630 3.3 32.9 1.0
ND2 A:ASN211 3.6 16.5 1.0
O A:ALA183 3.8 8.4 1.0
C A:ALA183 3.8 7.4 1.0
CB A:ALA183 3.8 8.1 1.0
N A:GLU184 4.0 8.2 1.0
CB A:ASN211 4.0 8.9 1.0
CA A:GLU184 4.1 8.7 1.0
CG A:GLU184 4.3 9.8 1.0
CG A:ASN211 4.4 12.5 1.0
CA A:ALA183 4.4 7.1 1.0
O A:ALA210 4.5 9.2 1.0
NZ A:LYS180 4.6 27.6 1.0
O A:HOH611 4.6 25.7 1.0
O A:HOH709 4.8 33.7 1.0
CB A:GLU184 4.8 9.4 1.0
CE A:LYS180 4.9 22.0 1.0
O A:ASN211 5.0 9.0 1.0
O A:HOH370 5.0 16.9 1.0

Chlorine binding site 3 out of 6 in 3m6y

Go back to Chlorine Binding Sites List in 3m6y
Chlorine binding site 3 out of 6 in the Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl254

b:19.0
occ:1.00
 O B:HOH655 3.0 28.0 1.0
N B:LEU70 3.2 11.6 1.0
NZ B:LYS162 3.4 16.9 1.0
N B:GLY71 3.5 19.0 1.0
N B:GLY73 3.6 22.3 1.0
CB B:LEU70 3.6 14.6 1.0
CB B:ASN94 3.7 9.3 1.0
CG B:ASN94 3.8 9.6 1.0
CA B:LEU70 3.9 14.4 1.0
O B:HOH406 4.0 35.1 1.0
N B:ALA72 4.0 23.3 1.0
CA B:GLY69 4.1 10.8 1.0
O B:HOH438 4.1 25.1 1.0
C B:GLY69 4.1 11.7 1.0
CG B:LEU70 4.1 15.8 1.0
CA B:GLY73 4.2 21.9 1.0
OD1 B:ASN94 4.2 10.5 1.0
CD1 B:LEU70 4.2 16.8 1.0
C B:LEU70 4.2 17.6 1.0
ND2 B:ASN94 4.2 9.3 1.0
CA B:GLY71 4.4 20.8 1.0
C B:GLY71 4.4 22.3 1.0
OH B:TYR220 4.5 18.2 1.0
C B:ALA72 4.6 23.6 1.0
CA B:ALA72 4.7 23.5 1.0
CE B:LYS162 4.8 17.4 1.0
O B:HOH1171 5.0 19.5 1.0

Chlorine binding site 4 out of 6 in 3m6y

Go back to Chlorine Binding Sites List in 3m6y
Chlorine binding site 4 out of 6 in the Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl255

b:17.6
occ:1.00
 O B:HOH394 3.1 26.9 1.0
N B:LYS167 3.3 12.1 1.0
C B:GLY193 3.3 10.9 1.0
CA B:GLY193 3.4 10.4 1.0
CB B:PRO165 3.6 11.9 1.0
N B:GLY194 3.6 10.9 1.0
CA B:LYS167 3.6 13.2 1.0
O B:GLY193 3.7 10.4 1.0
CG B:LYS167 4.0 20.1 1.0
N B:MSE166 4.0 10.6 1.0
CA B:PRO165 4.1 11.0 1.0
C B:PRO165 4.1 11.4 1.0
CA B:GLY194 4.3 11.2 1.0
CB B:LYS167 4.4 14.8 1.0
C B:MSE166 4.4 11.3 1.0
CE1 B:PHE164 4.7 12.1 1.0
N B:GLY193 4.8 9.7 1.0
O B:PRO165 4.8 12.3 1.0
CA B:MSE166 4.8 10.6 1.0
C B:LYS167 4.9 12.2 1.0
O B:HOH631 4.9 38.6 1.0
CG B:PRO165 4.9 13.4 1.0
O B:HOH586 4.9 26.4 1.0
N B:GLY168 5.0 11.4 1.0
O B:HOH260 5.0 25.6 1.0

Chlorine binding site 5 out of 6 in 3m6y

Go back to Chlorine Binding Sites List in 3m6y
Chlorine binding site 5 out of 6 in the Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl252

b:21.7
occ:1.00
 O C:HOH1091 2.9 32.3 1.0
O C:HOH1138 3.0 38.8 1.0
N C:LYS167 3.2 14.1 1.0
C C:GLY193 3.3 13.8 1.0
CA C:GLY193 3.3 13.0 1.0
CA C:LYS167 3.5 14.8 1.0
CB C:PRO165 3.6 11.7 1.0
N C:GLY194 3.6 14.7 1.0
O C:GLY193 3.7 13.7 1.0
CG C:LYS167 3.8 19.5 1.0
N C:MSE166 4.1 12.2 1.0
CA C:PRO165 4.1 11.5 1.0
C C:PRO165 4.1 11.4 1.0
CB C:LYS167 4.3 15.9 1.0
CA C:GLY194 4.3 14.7 1.0
C C:MSE166 4.4 13.8 1.0
CE1 C:PHE164 4.7 13.5 1.0
N C:GLY193 4.7 12.0 1.0
C C:LYS167 4.8 15.5 1.0
O C:HOH561 4.8 29.5 1.0
O C:PRO165 4.8 12.6 1.0
CA C:MSE166 4.8 11.5 1.0
N C:GLY168 4.9 16.0 1.0
CG C:PRO165 4.9 12.9 1.0

Chlorine binding site 6 out of 6 in 3m6y

Go back to Chlorine Binding Sites List in 3m6y
Chlorine binding site 6 out of 6 in the Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl252

b:16.7
occ:1.00
 O D:HOH889 2.9 25.5 1.0
O D:HOH888 3.1 39.0 1.0
O D:HOH1170 3.2 30.6 1.0
N D:LYS167 3.2 10.1 1.0
C D:GLY193 3.2 9.8 1.0
CA D:GLY193 3.3 9.0 1.0
CA D:LYS167 3.5 10.8 1.0
N D:GLY194 3.6 10.1 1.0
CB D:PRO165 3.6 9.1 1.0
O D:GLY193 3.6 9.8 1.0
CG D:LYS167 3.8 15.6 1.0
N D:MSE166 4.1 8.5 1.0
CA D:PRO165 4.1 8.2 1.0
C D:PRO165 4.2 8.0 1.0
CA D:GLY194 4.3 10.6 1.0
CB D:LYS167 4.3 12.3 1.0
C D:MSE166 4.4 9.6 1.0
CE1 D:PHE164 4.7 11.7 1.0
N D:GLY193 4.8 9.0 1.0
C D:LYS167 4.8 11.1 1.0
O D:PRO165 4.8 9.4 1.0
CA D:MSE166 4.8 9.3 1.0
O D:HOH898 4.9 26.9 1.0
N D:GLY168 4.9 9.7 1.0
O D:HOH748 4.9 30.2 1.0
CG D:PRO165 4.9 9.7 1.0
O D:HOH891 5.0 28.5 1.0

Reference:

E.V.Filippova, G.Minasov, L.Shuvalova, O.Kiryukhina, S.Clancy, A.Joachimiak, W.F.Anderson. Structure of 4-Hydroxy-2-Oxoglutarate Aldolase From Bacillus Cereus at 1.45 A Resolution. To Be Published.
Page generated: Sun Jul 21 00:01:42 2024

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