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Chlorine in PDB 6oad: 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.

Enzymatic activity of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.

All present enzymatic activity of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.:
3.4.11.23;

Protein crystallography data

The structure of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655., PDB code: 6oad was solved by G.Minasov, L.Shuvalova, Z.Wawrzak, O.Kiryukhina, S.Grimshaw, K.Kwon, K.J.F.Satchell, 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) 29.88 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 150.667, 114.761, 161.171, 90.00, 92.02, 90.00
R / Rfree (%) 17.2 / 21.5

Other elements in 6oad:

The structure of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. also contains other interesting chemical elements:

Calcium (Ca) 13 atoms
Zinc (Zn) 24 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. (pdb code 6oad). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655., PDB code: 6oad:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 6oad

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Chlorine binding site 1 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:58.7
occ:1.00
 O A:HOH614 3.0 25.1 0.5
NH2 A:ARG352 3.0 33.9 1.0
CA A:HIS383 3.3 29.5 1.0
NH1 A:ARG352 3.6 32.7 1.0
O A:HIS383 3.6 30.8 1.0
CZ A:ARG352 3.7 33.3 1.0
O A:HOH795 3.8 45.0 1.0
ND1 A:HIS383 3.8 29.4 1.0
NZ A:LYS269 3.8 34.2 1.0
C A:HIS383 3.8 29.8 1.0
O A:HOH894 3.9 49.8 1.0
CB A:HIS383 3.9 29.1 1.0
CE A:LYS269 3.9 33.3 1.0
O A:SER382 4.1 30.2 1.0
CG A:HIS383 4.2 29.0 1.0
N A:HIS383 4.3 29.0 1.0
C A:SER382 4.6 29.2 1.0
CE2 A:TYR388 4.6 36.0 1.0
CD2 A:TYR388 4.7 35.9 1.0
CE1 A:HIS383 4.8 29.0 1.0
N A:PHE384 4.9 29.4 1.0

Chlorine binding site 2 out of 11 in 6oad

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Chlorine binding site 2 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:47.9
occ:0.50
 O B:HOH661 2.8 33.0 0.5
NH2 B:ARG352 3.0 39.5 1.0
CA B:HIS383 3.5 35.1 1.0
CE B:LYS269 3.5 43.6 1.0
NZ B:LYS269 3.5 44.4 1.0
O B:HIS383 3.6 36.4 1.0
O B:HOH651 3.7 47.6 1.0
C B:HIS383 3.9 35.6 1.0
ND1 B:HIS383 3.9 36.7 1.0
NH1 B:ARG352 3.9 38.6 1.0
CZ B:ARG352 3.9 39.0 1.0
CB B:HIS383 4.1 34.9 1.0
O B:SER382 4.3 35.7 1.0
CG B:HIS383 4.3 35.4 1.0
N B:HIS383 4.6 34.1 1.0
CE2 B:TYR388 4.8 39.6 1.0
CD2 B:TYR388 4.8 39.3 1.0
C B:SER382 4.9 34.5 1.0
CE1 B:HIS383 4.9 37.0 1.0
CD B:LYS269 4.9 42.5 1.0
N B:PHE384 5.0 35.5 1.0

Chlorine binding site 3 out of 11 in 6oad

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Chlorine binding site 3 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:78.3
occ:1.00
 O B:HOH807 3.3 39.1 0.5
N B:VAL87 3.7 53.2 1.0
O B:ARG85 3.9 49.1 1.0
CB B:VAL87 3.9 51.5 1.0
CZ3 B:TRP75 4.0 41.5 1.0
O B:HOH744 4.1 50.8 1.0
CH2 B:TRP75 4.1 40.1 1.0
CG2 B:VAL87 4.2 49.5 1.0
CZ2 B:TRP89 4.3 49.0 1.0
CA B:VAL87 4.4 52.7 1.0
O B:VAL87 4.4 54.7 1.0
CA B:LYS86 4.5 53.3 1.0
CE3 B:TRP75 4.5 41.1 1.0
C B:LYS86 4.5 53.8 1.0
NE1 B:TRP89 4.6 52.8 1.0
CZ2 B:TRP75 4.6 39.1 1.0
CE2 B:TRP89 4.7 51.3 1.0
C B:ARG85 4.8 49.6 1.0
C B:VAL87 4.9 54.0 1.0
CD2 B:TRP75 5.0 40.5 1.0

Chlorine binding site 4 out of 11 in 6oad

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Chlorine binding site 4 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:60.2
occ:1.00
 O C:HOH846 3.0 41.5 1.0
NZ C:LYS148 3.1 51.9 1.0
O C:HOH681 3.3 30.8 1.0
N C:SER170 3.3 33.4 1.0
CE C:LYS148 3.8 50.2 1.0
CA C:ARG169 3.8 34.0 1.0
C C:ARG169 4.0 33.1 1.0
OG C:SER170 4.0 36.6 1.0
CB C:SER170 4.1 35.0 1.0
O C:GLU168 4.2 35.9 1.0
CA C:SER170 4.3 33.6 1.0
CB C:ARG169 4.5 33.6 1.0
OG C:SER124 4.5 34.7 1.0
O C:SER170 4.8 33.4 1.0
O C:HOH730 4.8 29.4 1.0
N C:ARG169 4.9 34.3 1.0
C C:GLU168 4.9 35.7 1.0

Chlorine binding site 5 out of 11 in 6oad

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Chlorine binding site 5 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl504

b:67.3
occ:1.00
 N E:ASP69 3.4 48.9 1.0
CG E:ASP67 3.7 54.2 1.0
N E:ALA68 3.7 51.0 1.0
OD2 E:ASP69 3.7 53.2 1.0
OD2 E:ASP67 3.8 56.0 1.0
CG E:ASP69 3.8 48.5 1.0
OE1 E:GLN96 3.9 68.4 1.0
CB E:ALA68 3.9 51.9 1.0
CB E:ASP67 4.0 55.0 1.0
CB E:ASP69 4.0 47.3 1.0
OD1 E:ASP67 4.1 52.4 1.0
CA E:ALA68 4.2 50.7 1.0
C E:ALA68 4.3 49.2 1.0
OD1 E:ASP69 4.3 47.9 1.0
CA E:ASP69 4.3 47.1 1.0
C E:ASP67 4.5 51.2 1.0
CD E:GLN96 4.6 72.0 1.0
O E:HOH661 4.8 32.9 0.5
CA E:ASP67 4.8 53.6 1.0

Chlorine binding site 6 out of 11 in 6oad

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Chlorine binding site 6 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl504

b:43.7
occ:0.65
 CL F:CL504 0.0 43.7 0.7
CL F:CL504 2.3 39.2 0.3
N F:SER170 3.4 29.9 1.0
O F:HOH633 3.5 33.7 1.0
NZ F:LYS148 3.8 46.9 1.0
CA F:ARG169 3.8 31.8 1.0
O F:GLU168 4.0 33.7 1.0
C F:ARG169 4.1 30.9 1.0
CB F:SER170 4.2 30.2 1.0
OG F:SER170 4.2 31.3 1.0
CA F:SER170 4.4 29.4 1.0
CE F:LYS148 4.5 46.4 1.0
CB F:ARG169 4.6 32.4 1.0
C F:GLU168 4.8 33.3 1.0
OG F:SER124 4.8 32.6 1.0
N F:ARG169 4.8 32.1 1.0

Chlorine binding site 7 out of 11 in 6oad

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Chlorine binding site 7 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl504

b:39.2
occ:0.35
 CL F:CL504 0.0 39.2 0.3
CL F:CL504 2.3 43.7 0.7
O F:HOH633 3.1 33.7 1.0
O F:HOH659 3.2 35.2 1.0
CB F:ARG169 3.7 32.4 1.0
CA F:ARG169 3.8 31.8 1.0
CG F:ARG169 4.0 34.1 1.0
OG F:SER124 4.3 32.6 1.0
N F:SER170 4.3 29.9 1.0
C F:ARG169 4.4 30.9 1.0
CD F:ARG169 4.5 34.9 1.0
CB F:SER124 4.7 32.6 1.0
NZ F:LYS148 4.8 46.9 1.0
O F:GLU168 4.9 33.7 1.0
N F:ARG169 5.0 32.1 1.0

Chlorine binding site 8 out of 11 in 6oad

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Chlorine binding site 8 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl504

b:51.8
occ:0.65
 CL K:CL504 0.0 51.8 0.7
CL K:CL504 2.1 43.0 0.3
NZ K:LYS269 2.9 34.9 1.0
NH2 K:ARG352 2.9 33.6 1.0
CE K:LYS269 3.1 34.0 1.0
ND1 K:HIS383 3.7 30.1 1.0
CA K:HIS383 3.8 29.1 1.0
O K:HIS383 3.9 29.5 1.0
CZ K:ARG352 3.9 33.0 1.0
NH1 K:ARG352 4.0 32.5 1.0
O K:HOH619 4.0 43.4 1.0
CB K:HIS383 4.2 29.1 1.0
C K:HIS383 4.2 29.2 1.0
CG K:HIS383 4.3 29.3 1.0
O K:SER382 4.5 28.6 1.0
CE1 K:HIS383 4.6 30.1 1.0
CD K:LYS269 4.6 33.4 1.0
N K:HIS383 4.9 28.4 1.0
CE2 K:TYR388 5.0 35.7 1.0

Chlorine binding site 9 out of 11 in 6oad

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Chlorine binding site 9 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl504

b:43.0
occ:0.35
 CL K:CL504 0.0 43.0 0.3
CL K:CL504 2.1 51.8 0.7
O K:HOH619 2.6 43.4 1.0
O K:SER382 3.0 28.6 1.0
NH2 K:ARG352 3.4 33.6 1.0
CD2 K:TYR388 3.4 35.0 1.0
NH1 K:ARG352 3.5 32.5 1.0
CE2 K:TYR388 3.6 35.7 1.0
CA K:HIS383 3.7 29.1 1.0
O K:VAL385 3.7 33.8 1.0
CZ K:ARG352 3.9 33.0 1.0
C K:HIS383 3.9 29.2 1.0
O K:HIS383 3.9 29.5 1.0
C K:SER382 4.0 28.4 1.0
N K:HIS383 4.3 28.4 1.0
CG K:TYR388 4.5 34.4 1.0
C K:VAL385 4.6 33.9 1.0
N K:PHE384 4.6 29.1 1.0
O K:HOH834 4.7 40.9 1.0
N K:VAL385 4.7 31.1 1.0
CB K:HIS383 4.8 29.1 1.0
O K:GLU386 4.8 38.0 1.0
CZ K:TYR388 4.8 35.6 1.0
CE K:LYS269 4.8 34.0 1.0
NZ K:LYS269 4.9 34.9 1.0
ND1 K:HIS383 5.0 30.1 1.0

Chlorine binding site 10 out of 11 in 6oad

Go back to Chlorine Binding Sites List in 6oad
Chlorine binding site 10 out of 11 in the 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl504

b:54.4
occ:1.00
 N L:ALA308 3.4 30.6 1.0
N L:GLY307 3.6 30.1 1.0
CB L:ALA308 3.7 31.8 1.0
CB L:THR306 3.8 31.3 1.0
CA L:ALA308 4.1 31.0 1.0
CA L:THR306 4.3 30.6 1.0
C L:GLY307 4.3 30.0 1.0
CA L:GLY307 4.3 29.9 1.0
C L:THR306 4.4 30.6 1.0
CG2 L:THR306 4.5 32.0 1.0
CA L:GLY373 4.5 32.5 1.0
OG1 L:THR306 4.6 31.6 1.0
C L:GLY373 4.9 32.6 1.0
O L:HOH838 5.0 52.2 1.0

Reference:

G.Minasov, L.Shuvalova, Z.Wawrzak, O.Kiryukhina, S.Grimshaw, K.Kwon, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B From Escherichia Coli Str. K-12 Substr. MG1655. To Be Published.
Page generated: Mon Jul 29 12:36:56 2024

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