Chlorine in PDB 6goa: Structural Basis For Oxa-48 Dimerization - R189A Mutant

Enzymatic activity of Structural Basis For Oxa-48 Dimerization - R189A Mutant

All present enzymatic activity of Structural Basis For Oxa-48 Dimerization - R189A Mutant:
3.5.2.6;

Protein crystallography data

The structure of Structural Basis For Oxa-48 Dimerization - R189A Mutant, PDB code: 6goa was solved by B.A.Lund, A.M.Thomassen, H.K.S.Leiros, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.67 / 2.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 107.726, 85.545, 125.805, 90.00, 90.08, 90.00
R / Rfree (%) 24 / 27.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural Basis For Oxa-48 Dimerization - R189A Mutant (pdb code 6goa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structural Basis For Oxa-48 Dimerization - R189A Mutant, PDB code: 6goa:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6goa

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Chlorine binding site 1 out of 8 in the Structural Basis For Oxa-48 Dimerization - R189A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Basis For Oxa-48 Dimerization - R189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:38.9
occ:1.00
HH12 D:ARG206 2.3 26.0 1.0
HH12 A:ARG206 2.4 26.8 1.0
HH22 D:ARG206 2.5 27.4 1.0
HH22 A:ARG206 2.5 28.7 1.0
HD22 D:LEU196 3.1 45.8 1.0
HD22 A:LEU196 3.1 40.1 1.0
NH1 D:ARG206 3.1 22.0 1.0
NH1 A:ARG206 3.2 22.2 1.0
NH2 D:ARG206 3.3 22.4 1.0
NH2 A:ARG206 3.3 23.4 1.0
HA A:GLN193 3.6 32.5 1.0
CZ D:ARG206 3.6 21.8 1.0
HG3 A:GLN193 3.7 32.6 1.0
CZ A:ARG206 3.7 23.4 1.0
HA D:GLN193 3.7 62.2 1.0
HG3 D:GLN193 3.8 90.9 1.0
HH11 D:ARG206 3.8 26.0 1.0
HH11 A:ARG206 3.9 26.8 1.0
HB2 A:LEU196 3.9 36.0 1.0
HH21 D:ARG206 4.0 27.4 1.0
HB2 D:LEU196 4.0 48.8 1.0
HH21 A:ARG206 4.0 28.7 1.0
CD2 D:LEU196 4.0 37.6 1.0
CD2 A:LEU196 4.0 32.9 1.0
HD13 D:LEU196 4.1 46.8 1.0
HD13 A:LEU196 4.3 39.9 1.0
HD23 A:LEU196 4.4 40.1 1.0
HD21 D:LEU196 4.5 45.8 1.0
HD23 D:LEU196 4.5 45.8 1.0
CA A:GLN193 4.5 27.7 1.0
HD21 A:LEU196 4.5 40.1 1.0
CG A:GLN193 4.6 28.9 1.0
HB2 A:GLN193 4.6 32.3 1.0
CA D:GLN193 4.7 51.3 1.0
CG D:GLN193 4.7 75.2 1.0
CB A:LEU196 4.8 29.5 1.0
HB2 D:GLN193 4.8 35.7 1.0
CG D:LEU196 4.8 39.3 1.0
CB A:GLN193 4.8 28.3 1.0
CG A:LEU196 4.8 31.7 1.0
CB D:LEU196 4.8 40.2 1.0
CD1 D:LEU196 4.9 38.5 1.0
CD1 A:LEU196 5.0 32.7 1.0
CB D:GLN193 5.0 32.4 1.0
NE D:ARG206 5.0 22.9 1.0
HG2 A:GLN193 5.0 32.6 1.0
O A:GLN193 5.0 28.9 1.0

Chlorine binding site 2 out of 8 in 6goa

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Chlorine binding site 2 out of 8 in the Structural Basis For Oxa-48 Dimerization - R189A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Basis For Oxa-48 Dimerization - R189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:49.3
occ:1.00
HH22 B:ARG250 2.5 33.9 1.0
NH2 B:ARG250 3.3 30.9 1.0
OG1 B:THR209 3.5 42.3 1.0
HB2 B:TYR211 3.5 48.4 1.0
HH12 B:ARG250 3.7 36.5 1.0
HH21 B:ARG250 3.8 33.9 1.0
HB B:THR209 3.8 51.4 1.0
HB3 B:TYR211 4.1 48.4 1.0
HG B:SER70 4.1 37.4 1.0
HB3 B:SER118 4.1 55.7 1.0
HG1 B:THR209 4.1 51.4 1.0
HB2 B:SER70 4.1 38.3 1.0
OG B:SER118 4.2 51.1 1.0
HA2 B:GLY210 4.2 54.8 1.0
HB2 B:SER118 4.2 55.7 1.0
CB B:THR209 4.2 42.3 1.0
CB B:TYR211 4.3 39.8 1.0
CZ B:ARG250 4.3 31.6 1.0
NH1 B:ARG250 4.3 33.0 1.0
CB B:SER118 4.4 45.9 1.0
N B:GLY210 4.5 45.8 1.0
C B:GLY210 4.5 43.3 1.0
HG B:SER118 4.5 62.0 1.0
O B:HOH412 4.5 7.9 1.0
N B:TYR211 4.5 41.8 1.0
CA B:GLY210 4.6 45.2 1.0
C B:THR209 4.6 44.8 1.0
H B:GLY210 4.6 55.6 1.0
H B:TYR211 4.6 50.7 1.0
HZ1 B:LYS208 4.7 39.8 1.0
OG B:SER70 4.7 31.3 1.0
CB B:SER70 4.8 31.4 1.0
O B:GLY210 4.8 43.0 1.0
O B:THR209 4.9 45.7 1.0
HB3 B:SER70 4.9 38.3 1.0
HD22 B:LEU247 4.9 46.8 1.0
HD2 B:TYR211 5.0 53.2 1.0
HZ3 B:LYS208 5.0 39.8 1.0
HD13 B:LEU247 5.0 53.4 1.0

Chlorine binding site 3 out of 8 in 6goa

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Chlorine binding site 3 out of 8 in the Structural Basis For Oxa-48 Dimerization - R189A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Basis For Oxa-48 Dimerization - R189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:37.3
occ:1.00
HH22 C:ARG206 2.4 33.4 1.0
HH12 C:ARG206 2.4 29.3 1.0
HH12 B:ARG206 2.6 29.2 1.0
HH22 B:ARG206 2.9 30.7 1.0
NH2 C:ARG206 3.1 28.1 1.0
NH1 C:ARG206 3.1 26.2 1.0
NH1 B:ARG206 3.4 24.0 1.0
HG3 B:GLN193 3.4 40.6 1.0
HD22 C:LEU196 3.4 29.7 1.0
HA B:GLN193 3.5 33.7 1.0
CZ C:ARG206 3.5 26.9 1.0
HD22 B:LEU196 3.6 31.0 1.0
HA C:GLN193 3.6 37.8 1.0
NH2 B:ARG206 3.7 25.0 1.0
HH21 C:ARG206 3.8 33.4 1.0
HH11 C:ARG206 3.8 29.3 1.0
HG3 C:GLN193 3.9 43.0 1.0
CZ B:ARG206 4.0 25.1 1.0
HH11 B:ARG206 4.0 29.2 1.0
HB2 C:LEU196 4.2 27.8 1.0
HB2 B:LEU196 4.2 30.4 1.0
CG B:GLN193 4.3 33.3 1.0
CD2 C:LEU196 4.4 26.8 1.0
CA B:GLN193 4.4 27.6 1.0
HB2 B:GLN193 4.4 37.7 1.0
HH21 B:ARG206 4.4 30.7 1.0
HD13 C:LEU196 4.5 28.4 1.0
CD2 B:LEU196 4.5 25.9 1.0
CA C:GLN193 4.6 31.0 1.0
CB B:GLN193 4.6 30.9 1.0
HB2 C:GLN193 4.6 41.8 1.0
HG2 B:GLN193 4.7 40.6 1.0
HD13 B:LEU196 4.7 31.4 1.0
HD23 C:LEU196 4.7 29.7 1.0
CG C:GLN193 4.8 35.3 1.0
HD23 B:LEU196 4.8 31.0 1.0
HD21 C:LEU196 4.8 29.7 1.0
NE C:ARG206 4.8 26.6 1.0
CB C:GLN193 4.9 34.3 1.0
O B:GLN193 4.9 29.2 1.0

Chlorine binding site 4 out of 8 in 6goa

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Chlorine binding site 4 out of 8 in the Structural Basis For Oxa-48 Dimerization - R189A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural Basis For Oxa-48 Dimerization - R189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:51.6
occ:1.00
HH12 C:ARG250 2.3 43.6 1.0
HH22 C:ARG250 2.5 42.5 1.0
NH1 C:ARG250 3.1 35.9 1.0
NH2 C:ARG250 3.3 34.9 1.0
CZ C:ARG250 3.6 35.0 1.0
HG1 C:THR209 3.7 46.6 1.0
HB2 C:TYR211 3.8 44.3 1.0
HH11 C:ARG250 3.8 43.6 1.0
HD13 C:LEU247 3.9 41.8 1.0
HH21 C:ARG250 4.0 42.5 1.0
OG1 C:THR209 4.1 38.3 1.0
HD22 C:LEU247 4.3 41.2 1.0
HG C:SER118 4.3 53.1 1.0
HB C:THR209 4.4 43.6 1.0
HD2 C:TYR211 4.4 48.6 1.0
HB3 C:TYR211 4.5 44.3 1.0
CB C:TYR211 4.6 36.4 1.0
HB2 C:SER118 4.7 49.7 1.0
CB C:THR209 4.8 35.8 1.0
HB3 C:LEU247 4.8 40.5 1.0
CD1 C:LEU247 4.9 34.3 1.0
NE C:ARG250 5.0 34.0 1.0

Chlorine binding site 5 out of 8 in 6goa

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Chlorine binding site 5 out of 8 in the Structural Basis For Oxa-48 Dimerization - R189A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structural Basis For Oxa-48 Dimerization - R189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:54.5
occ:1.00
HH12 E:ARG206 2.3 39.5 1.0
HH12 H:ARG206 2.5 46.7 1.0
HH22 H:ARG206 2.5 46.4 1.0
HH22 E:ARG206 2.6 42.9 1.0
NH1 E:ARG206 3.1 35.6 1.0
HD22 E:LEU196 3.2 41.8 1.0
NH1 H:ARG206 3.2 41.5 1.0
NH2 H:ARG206 3.2 41.3 1.0
NH2 E:ARG206 3.3 38.4 1.0
HA E:GLN193 3.4 63.1 1.0
HD22 H:LEU196 3.4 51.5 1.0
HG3 E:GLN193 3.4 57.0 1.0
CZ H:ARG206 3.7 54.5 1.0
CZ E:ARG206 3.7 36.6 1.0
HA H:GLN193 3.7 52.4 1.0
HG3 H:GLN193 3.7 51.4 1.0
HH11 E:ARG206 3.8 39.5 1.0
HH11 H:ARG206 3.9 46.7 1.0
HH21 H:ARG206 3.9 46.4 1.0
HB2 E:LEU196 4.0 40.2 1.0
HH21 E:ARG206 4.0 42.9 1.0
CD2 E:LEU196 4.2 36.3 1.0
HD13 E:LEU196 4.2 43.5 1.0
HB2 H:LEU196 4.3 67.0 1.0
CA E:GLN193 4.3 52.0 1.0
CG E:GLN193 4.3 47.0 1.0
HB2 E:GLN193 4.4 61.1 1.0
CD2 H:LEU196 4.4 45.5 1.0
HD23 E:LEU196 4.6 41.8 1.0
CB E:GLN193 4.6 50.4 1.0
HD13 H:LEU196 4.6 67.0 1.0
CA H:GLN193 4.6 43.2 1.0
CG H:GLN193 4.6 45.5 1.0
HB2 H:GLN193 4.6 49.9 1.0
HD21 E:LEU196 4.6 41.8 1.0
HD23 H:LEU196 4.7 51.5 1.0
HG2 E:GLN193 4.7 57.0 1.0
CB E:LEU196 4.8 33.5 1.0
O E:GLN193 4.8 37.7 1.0
CB H:GLN193 4.9 44.3 1.0
CG E:LEU196 4.9 34.9 1.0
HD21 H:LEU196 4.9 51.5 1.0
CD1 E:LEU196 4.9 35.7 1.0
NE H:ARG206 5.0 53.3 1.0
NE E:ARG206 5.0 36.4 1.0

Chlorine binding site 6 out of 8 in 6goa

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Chlorine binding site 6 out of 8 in the Structural Basis For Oxa-48 Dimerization - R189A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structural Basis For Oxa-48 Dimerization - R189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl301

b:30.4
occ:1.00
HH12 F:ARG206 2.4 25.6 1.0
HH12 G:ARG206 2.4 38.5 1.0
HH22 G:ARG206 2.4 29.6 1.0
HH22 F:ARG206 2.9 27.3 1.0
NH1 G:ARG206 3.1 31.6 1.0
HD22 F:LEU196 3.2 36.9 1.0
NH1 F:ARG206 3.2 23.1 1.0
NH2 G:ARG206 3.2 27.3 1.0
HD22 G:LEU196 3.4 34.1 1.0
HA F:GLN193 3.5 39.5 1.0
HG3 F:GLN193 3.5 33.5 1.0
NH2 F:ARG206 3.6 24.5 1.0
CZ G:ARG206 3.6 31.0 1.0
HG3 G:GLN193 3.7 44.2 1.0
HA G:GLN193 3.7 36.1 1.0
HH11 F:ARG206 3.8 25.6 1.0
HH11 G:ARG206 3.8 38.5 1.0
CZ F:ARG206 3.8 23.6 1.0
HH21 G:ARG206 3.9 29.6 1.0
HB2 F:LEU196 4.0 35.9 1.0
CD2 F:LEU196 4.1 30.2 1.0
HB2 G:LEU196 4.2 37.4 1.0
HH21 F:ARG206 4.3 27.3 1.0
HD13 F:LEU196 4.3 35.4 1.0
HD13 G:LEU196 4.3 33.4 1.0
CD2 G:LEU196 4.3 29.7 1.0
HD23 F:LEU196 4.4 36.9 1.0
CG F:GLN193 4.4 27.4 1.0
CA F:GLN193 4.4 32.4 1.0
HB2 F:GLN193 4.5 37.3 1.0
CG G:GLN193 4.6 36.3 1.0
HB2 G:GLN193 4.6 41.5 1.0
CA G:GLN193 4.6 29.6 1.0
HD21 F:LEU196 4.6 36.9 1.0
CB F:GLN193 4.7 30.5 1.0
HD23 G:LEU196 4.7 34.1 1.0
HD21 G:LEU196 4.8 34.1 1.0
CB G:GLN193 4.8 34.0 1.0
CB F:LEU196 4.8 29.4 1.0
HG2 F:GLN193 4.8 33.5 1.0
CG F:LEU196 4.9 29.3 1.0
NE G:ARG206 4.9 30.0 1.0
O F:GLN193 5.0 36.7 1.0

Chlorine binding site 7 out of 8 in 6goa

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Chlorine binding site 7 out of 8 in the Structural Basis For Oxa-48 Dimerization - R189A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structural Basis For Oxa-48 Dimerization - R189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:52.6
occ:1.00
HG1 G:THR209 2.6 40.8 1.0
HH22 G:ARG250 2.6 45.8 1.0
HG G:SER118 3.2 42.7 1.0
HA2 G:GLY210 3.2 42.2 1.0
OG1 G:THR209 3.3 33.5 1.0
NH2 G:ARG250 3.4 37.7 1.0
HB2 G:SER70 3.5 52.8 1.0
HB G:THR209 3.6 40.1 1.0
HB2 G:TYR211 3.7 44.7 1.0
HG G:SER70 3.7 53.4 1.0
N G:GLY210 3.7 34.2 1.0
CA G:GLY210 3.8 34.6 1.0
HH21 G:ARG250 3.8 45.8 1.0
C G:THR209 3.9 34.5 1.0
C G:GLY210 3.9 35.3 1.0
HH12 G:ARG250 3.9 43.9 1.0
OG G:SER118 3.9 35.1 1.0
H G:TYR211 3.9 44.8 1.0
HB3 G:TYR211 4.0 44.7 1.0
N G:TYR211 4.0 36.8 1.0
CB G:THR209 4.0 32.9 1.0
O G:THR209 4.0 27.6 1.0
H G:GLY210 4.1 41.7 1.0
HZ3 G:LYS208 4.1 34.5 1.0
CB G:SER70 4.2 43.5 1.0
CB G:TYR211 4.2 36.7 1.0
HB3 G:SER118 4.3 41.6 1.0
HZ1 G:LYS208 4.3 34.5 1.0
OG G:SER70 4.3 44.0 1.0
HB2 G:SER118 4.4 41.6 1.0
HB3 G:SER70 4.4 52.8 1.0
CZ G:ARG250 4.4 36.4 1.0
CB G:SER118 4.5 34.1 1.0
O G:GLY210 4.5 29.6 1.0
NH1 G:ARG250 4.5 36.4 1.0
HZ2 G:LYS208 4.5 34.5 1.0
NZ G:LYS208 4.5 28.2 1.0
CA G:THR209 4.6 33.1 1.0
HA3 G:GLY210 4.7 42.2 1.0
CA G:TYR211 4.7 37.6 1.0
O G:HOH407 4.9 17.6 1.0

Chlorine binding site 8 out of 8 in 6goa

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Chlorine binding site 8 out of 8 in the Structural Basis For Oxa-48 Dimerization - R189A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structural Basis For Oxa-48 Dimerization - R189A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl301

b:58.7
occ:1.00
HH22 H:ARG250 2.2 61.0 1.0
HG1 H:THR209 2.9 75.8 1.0
NH2 H:ARG250 3.0 53.5 1.0
HH12 H:ARG250 3.2 95.4 1.0
HB2 H:TYR211 3.3 70.4 1.0
OG1 H:THR209 3.4 62.6 1.0
HG H:SER118 3.4 76.3 1.0
HH21 H:ARG250 3.5 61.0 1.0
HB H:THR209 3.6 74.6 1.0
NH1 H:ARG250 3.8 79.0 1.0
CZ H:ARG250 3.9 54.4 1.0
HB3 H:TYR211 3.9 70.4 1.0
HA2 H:GLY210 3.9 55.9 1.0
O H:HOH415 3.9 41.0 1.0
O H:HOH401 4.0 38.9 1.0
CB H:THR209 4.0 61.7 1.0
CB H:TYR211 4.0 58.1 1.0
N H:GLY210 4.1 86.4 1.0
HB2 H:SER70 4.2 91.2 1.0
C H:GLY210 4.2 51.0 1.0
OG H:SER118 4.2 66.3 1.0
N H:TYR211 4.2 52.5 1.0
CA H:GLY210 4.3 49.2 1.0
HB2 H:SER118 4.3 76.0 1.0
HB3 H:SER118 4.3 76.0 1.0
H H:GLY210 4.3 0.4 1.0
HG H:SER70 4.3 93.1 1.0
C H:THR209 4.3 47.6 1.0
H H:TYR211 4.3 59.8 1.0
HZ1 H:LYS208 4.5 59.7 1.0
CB H:SER118 4.5 66.0 1.0
O H:GLY210 4.6 55.0 1.0
HH11 H:ARG250 4.6 95.4 1.0
O H:THR209 4.6 47.3 1.0
CA H:TYR211 4.8 56.2 1.0
HZ2 H:LYS208 4.8 59.7 1.0
HD22 H:LEU247 4.8 84.1 1.0
HD2 H:TYR211 4.8 70.5 1.0
CA H:THR209 4.9 47.2 1.0
CB H:SER70 4.9 75.5 1.0
OG H:SER70 4.9 77.0 1.0
HZ3 H:LYS208 4.9 59.7 1.0
NZ H:LYS208 4.9 49.2 1.0

Reference:

B.A.Lund, A.M.Thomassen, B.H.B.Nesheim, T.J.O.Carlsen, J.Isaksson, T.Christopeit, H.S.Leiros. The Biological Assembly of Oxa-48 Reveals A Dimer Interface with High Charge Complementarity and Very High Affinity. Febs J. V. 285 4214 2018.
ISSN: ISSN 1742-4658
PubMed: 30153368
DOI: 10.1111/FEBS.14643
Page generated: Sat Dec 12 13:02:17 2020

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