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Chlorine in PDB 5w16: Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate

Enzymatic activity of Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate

All present enzymatic activity of Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate:
5.1.1.3;

Protein crystallography data

The structure of Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate, PDB code: 5w16 was solved by G.T.Cooling, N.R.Vance, M.A.Spies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 58.93 / 1.91
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.677, 96.728, 179.066, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 22.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate (pdb code 5w16). 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 Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate, PDB code: 5w16:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5w16

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Chlorine binding site 1 out of 8 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate


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 Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:52.2
occ:1.00
H A:GLN117 2.6 33.4 1.0
HG3 A:PRO138 3.0 45.1 1.0
O A:HOH554 3.1 31.6 1.0
HB A:THR116 3.1 32.9 1.0
HA A:PRO138 3.1 43.9 1.0
HA A:THR116 3.2 29.2 1.0
N A:GLN117 3.4 27.8 1.0
HB3 A:PRO138 3.4 44.2 1.0
O A:HOH559 3.6 39.8 1.0
HB3 A:GLN117 3.6 40.5 1.0
HB2 A:GLN117 3.7 40.5 1.0
HA3 A:GLY45 3.7 31.9 1.0
HG22 A:THR116 3.8 33.9 1.0
O A:HOH622 3.8 51.4 1.0
CB A:THR116 3.8 27.4 1.0
CG A:PRO138 3.8 37.6 1.0
CA A:THR116 3.9 24.3 1.0
CB A:PRO138 3.9 36.8 1.0
CA A:PRO138 3.9 36.6 1.0
CB A:GLN117 4.0 33.8 1.0
C A:THR116 4.2 25.2 1.0
C A:GLY45 4.2 28.4 1.0
O A:HOH461 4.3 30.6 1.0
CG2 A:THR116 4.3 28.2 1.0
O A:GLY45 4.3 34.4 1.0
CA A:GLN117 4.4 30.6 1.0
CA A:GLY45 4.5 26.6 1.0
HG2 A:PRO138 4.5 45.1 1.0
N A:PRO138 4.6 34.3 1.0
O A:HOH483 4.6 43.4 1.0
N A:GLY46 4.6 30.6 1.0
HG21 A:THR116 4.6 33.9 1.0
HB1 A:ALA136 4.6 36.1 1.0
CD A:PRO138 4.7 34.5 1.0
HD3 A:PRO138 4.7 41.5 1.0
H A:ALA118 4.8 31.0 1.0
H A:GLY46 4.8 36.8 1.0
HB2 A:PRO138 4.9 44.2 1.0
HA2 A:GLY46 4.9 36.5 1.0
HA A:GLN117 5.0 36.7 1.0
HA2 A:GLY45 5.0 31.9 1.0

Chlorine binding site 2 out of 8 in 5w16

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Chlorine binding site 2 out of 8 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate


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 Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:55.7
occ:1.00
H B:GLN117 2.4 33.9 1.0
O B:HOH559 3.0 32.3 1.0
HB B:THR116 3.0 33.0 1.0
HA B:THR116 3.1 26.6 1.0
HG3 B:PRO138 3.1 45.5 1.0
HA B:PRO138 3.2 41.0 1.0
N B:GLN117 3.2 28.2 1.0
HB3 B:PRO138 3.4 36.2 1.0
HB3 B:GLN117 3.4 41.6 1.0
HB2 B:GLN117 3.5 41.6 1.0
O B:HOH549 3.6 47.9 1.0
CB B:THR116 3.7 27.5 1.0
CA B:THR116 3.7 22.2 1.0
HA3 B:GLY45 3.7 31.0 1.0
HG22 B:THR116 3.7 27.7 1.0
O B:HOH618 3.8 46.2 1.0
CB B:GLN117 3.9 34.6 1.0
CG B:PRO138 3.9 37.9 1.0
CB B:PRO138 3.9 30.2 1.0
CA B:PRO138 3.9 34.2 1.0
C B:THR116 4.0 26.6 1.0
O B:GLY45 4.1 27.6 1.0
CA B:GLN117 4.2 26.9 1.0
C B:GLY45 4.2 24.8 1.0
CG2 B:THR116 4.2 23.1 1.0
CA B:GLY45 4.4 25.9 1.0
HB1 B:ALA136 4.5 42.9 1.0
O B:HOH454 4.5 29.9 1.0
HG2 B:PRO138 4.6 45.5 1.0
HG21 B:THR116 4.6 27.7 1.0
N B:PRO138 4.6 33.5 1.0
HD3 B:PRO138 4.6 41.2 1.0
H B:ALA118 4.6 32.1 1.0
CD B:PRO138 4.7 34.4 1.0
N B:GLY46 4.7 28.0 1.0
HA B:GLN117 4.7 32.2 1.0
HA2 B:GLY46 4.8 30.6 1.0
HB2 B:PRO138 4.8 36.2 1.0
HA2 B:GLY45 4.9 31.0 1.0
OG1 B:THR116 4.9 24.0 1.0
O A:HOH621 4.9 47.2 1.0
O B:HOH446 5.0 46.0 1.0

Chlorine binding site 3 out of 8 in 5w16

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Chlorine binding site 3 out of 8 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate


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 Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:78.4
occ:1.00
H B:ALA248 2.9 74.3 1.0
HD2 B:HIS226 3.1 34.6 1.0
H B:GLU247 3.2 63.5 1.0
O B:THR224 3.4 36.0 1.0
HB3 B:ALA248 3.5 86.9 1.0
O B:HOH481 3.5 47.2 1.0
HB2 B:GLU247 3.6 77.1 1.0
O B:HOH543 3.7 47.0 1.0
N B:ALA248 3.8 62.0 1.0
CD2 B:HIS226 3.8 28.9 1.0
HB B:THR224 3.8 44.0 1.0
NE2 B:HIS226 4.0 32.6 1.0
N B:GLU247 4.1 53.0 1.0
CB B:ALA248 4.2 72.4 1.0
O B:HOH518 4.3 59.8 1.0
HA B:VAL246 4.3 53.6 1.0
HB2 B:ALA248 4.3 86.9 1.0
C B:THR224 4.3 36.8 1.0
HG22 B:THR224 4.3 43.5 1.0
CB B:GLU247 4.5 64.2 1.0
O B:ALA248 4.5 49.5 1.0
HG13 B:VAL246 4.5 56.2 1.0
CA B:ALA248 4.5 72.8 1.0
CB B:THR224 4.6 36.6 1.0
H B:THR224 4.6 41.0 1.0
CA B:GLU247 4.6 54.7 1.0
HA B:PHE225 4.7 41.6 1.0
C B:GLU247 4.7 61.1 1.0
CG2 B:THR224 4.9 36.3 1.0
CA B:THR224 4.9 37.4 1.0
C B:ALA248 5.0 56.3 1.0
HG2 B:GLU247 5.0 75.0 1.0

Chlorine binding site 4 out of 8 in 5w16

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Chlorine binding site 4 out of 8 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate


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 Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl307

b:50.0
occ:1.00
H C:GLN117 2.3 33.0 1.0
HA C:THR116 3.0 29.7 1.0
HB C:THR116 3.0 32.3 1.0
O C:HOH563 3.1 30.7 1.0
HG3 C:PRO138 3.1 41.7 1.0
N C:GLN117 3.2 27.5 1.0
HA C:PRO138 3.2 35.6 1.0
HB3 C:GLN117 3.4 39.8 1.0
O C:HOH618 3.5 48.2 1.0
HB3 C:PRO138 3.5 37.4 1.0
HB2 C:GLN117 3.6 39.8 1.0
CA C:THR116 3.6 24.7 1.0
HG22 C:THR116 3.6 31.1 1.0
O C:HOH542 3.7 42.4 1.0
HA3 C:GLY45 3.7 28.9 1.0
CB C:THR116 3.7 26.9 1.0
CB C:GLN117 3.9 33.1 1.0
CG C:PRO138 3.9 34.7 1.0
C C:THR116 3.9 28.0 1.0
CA C:PRO138 4.0 29.7 1.0
CB C:PRO138 4.0 31.2 1.0
O C:GLY45 4.1 29.6 1.0
CG2 C:THR116 4.2 25.9 1.0
CA C:GLN117 4.2 30.3 1.0
C C:GLY45 4.2 27.2 1.0
CA C:GLY45 4.4 24.1 1.0
O C:HOH424 4.4 32.0 1.0
HB1 C:ALA136 4.5 34.3 1.0
HG21 C:THR116 4.6 31.1 1.0
H C:ALA118 4.6 33.9 1.0
HD3 C:PRO138 4.6 39.3 1.0
N C:PRO138 4.6 30.7 1.0
HG2 C:PRO138 4.6 41.7 1.0
CD C:PRO138 4.7 32.8 1.0
N C:GLY46 4.7 32.6 1.0
HA C:GLN117 4.7 36.3 1.0
HA2 C:GLY45 4.8 28.9 1.0
HB2 C:PRO138 4.9 37.4 1.0
OG1 C:THR116 4.9 25.6 1.0
HA2 C:GLY46 4.9 36.8 1.0
HG23 C:THR116 5.0 31.1 1.0
N C:THR116 5.0 28.1 1.0

Chlorine binding site 5 out of 8 in 5w16

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Chlorine binding site 5 out of 8 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate


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 Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl308

b:58.2
occ:1.00
HG23 C:VAL153 2.2 57.8 1.0
H C:VAL153 2.9 38.8 1.0
HG22 C:VAL153 2.9 57.8 1.0
CG2 C:VAL153 3.0 48.2 1.0
HD2 C:PRO152 3.0 49.1 1.0
HB2 C:PRO152 3.1 42.8 1.0
HB3 C:ASP151 3.3 48.5 1.0
HG21 C:VAL153 3.4 57.8 1.0
HB3 D:LEU156 3.4 40.8 1.0
O D:HOH518 3.4 40.7 1.0
N C:VAL153 3.6 32.3 1.0
HD22 D:LEU156 3.7 42.5 1.0
HD13 D:LEU156 3.8 48.3 1.0
CD C:PRO152 3.8 40.9 1.0
CB C:PRO152 3.9 35.7 1.0
HG2 C:PRO152 4.0 44.1 1.0
N C:PRO152 4.1 35.9 1.0
CB C:VAL153 4.1 44.6 1.0
CG C:PRO152 4.2 36.8 1.0
CB C:ASP151 4.2 40.4 1.0
CB D:LEU156 4.4 34.0 1.0
CA C:VAL153 4.4 36.0 1.0
CA C:PRO152 4.4 36.0 1.0
C C:PRO152 4.4 37.1 1.0
HB C:VAL153 4.5 53.5 1.0
CD2 D:LEU156 4.6 35.4 1.0
HB2 C:ASP151 4.6 48.5 1.0
OD2 C:ASP151 4.6 64.0 1.0
HA C:VAL153 4.6 43.2 1.0
HD3 C:PRO152 4.6 49.1 1.0
CD1 D:LEU156 4.7 40.2 1.0
HB3 C:PRO152 4.7 42.8 1.0
HB2 D:LEU156 4.7 40.8 1.0
CG D:LEU156 4.8 40.0 1.0
C C:ASP151 4.8 38.3 1.0
CG C:ASP151 4.9 53.0 1.0

Chlorine binding site 6 out of 8 in 5w16

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Chlorine binding site 6 out of 8 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate


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 Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl309

b:73.0
occ:1.00
H C:ASP130 2.3 56.4 1.0
O C:HOH502 2.8 66.0 1.0
HA C:VAL129 3.1 47.1 1.0
HG23 C:VAL129 3.1 58.6 1.0
N C:ASP130 3.2 47.0 1.0
HG2 C:ARG106 3.2 61.8 1.0
HB2 C:ASP130 3.2 63.3 1.0
OD2 C:ASP130 3.4 64.5 1.0
O C:HOH517 3.6 57.4 1.0
CG C:ASP130 3.7 59.6 1.0
HG22 C:VAL129 3.8 58.6 1.0
CB C:ASP130 3.8 52.8 1.0
CG2 C:VAL129 3.8 48.9 1.0
CA C:VAL129 3.9 39.3 1.0
C C:VAL129 4.0 45.4 1.0
CA C:ASP130 4.1 48.2 1.0
CG C:ARG106 4.1 51.5 1.0
HA C:ARG106 4.1 61.0 1.0
HD3 C:ARG106 4.2 57.4 1.0
HD2 C:ARG106 4.2 57.4 1.0
CD C:ARG106 4.4 47.9 1.0
CB C:VAL129 4.5 45.8 1.0
OD1 C:ASP130 4.6 54.2 1.0
HG21 C:VAL129 4.6 58.6 1.0
HB3 C:ASP130 4.7 63.3 1.0
HB3 C:ARG106 4.7 58.0 1.0
O C:ASP130 4.7 41.7 1.0
HG3 C:ARG106 4.7 61.8 1.0
HA C:ASP130 4.8 57.9 1.0
CB C:ARG106 4.8 48.3 1.0
HB C:VAL129 4.8 54.9 1.0
CA C:ARG106 4.9 50.8 1.0
C C:ASP130 4.9 45.9 1.0

Chlorine binding site 7 out of 8 in 5w16

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Chlorine binding site 7 out of 8 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate


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 Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl306

b:49.7
occ:1.00
H D:GLN117 2.4 33.4 1.0
HB D:THR116 3.0 32.1 1.0
HA D:THR116 3.0 32.5 1.0
O D:HOH558 3.0 31.6 1.0
HA D:PRO138 3.2 39.6 1.0
HG3 D:PRO138 3.2 44.6 1.0
N D:GLN117 3.2 27.8 1.0
HB2 D:GLN117 3.3 36.3 1.0
HB3 D:PRO138 3.4 35.7 1.0
O D:HOH566 3.4 40.4 1.0
HG22 D:THR116 3.6 28.1 1.0
CB D:THR116 3.6 26.7 1.0
CA D:THR116 3.6 27.1 1.0
O D:HOH617 3.7 51.9 1.0
HA3 D:GLY45 3.7 31.5 1.0
CB D:PRO138 3.9 29.7 1.0
C D:THR116 4.0 27.1 1.0
CA D:PRO138 4.0 33.0 1.0
CG D:PRO138 4.0 37.1 1.0
CB D:GLN117 4.0 30.2 1.0
CG2 D:THR116 4.1 23.4 1.0
O D:GLY45 4.1 29.7 1.0
HB3 D:GLN117 4.1 36.3 1.0
C D:GLY45 4.2 25.3 1.0
O D:HOH454 4.2 30.3 1.0
CA D:GLN117 4.3 27.9 1.0
CA D:GLY45 4.4 26.3 1.0
HG21 D:THR116 4.5 28.1 1.0
HG2 D:PRO138 4.7 44.6 1.0
N D:GLY46 4.7 30.5 1.0
N D:PRO138 4.7 32.9 1.0
HB1 D:ALA136 4.7 39.9 1.0
H D:ALA118 4.7 36.6 1.0
HA D:GLN117 4.8 33.5 1.0
O D:HOH442 4.8 42.3 1.0
HB2 D:PRO138 4.8 35.7 1.0
HA2 D:GLY45 4.9 31.5 1.0
CD D:PRO138 4.9 32.4 1.0
HG23 D:THR116 4.9 28.1 1.0
OG1 D:THR116 4.9 25.8 1.0
HA2 D:GLY46 4.9 32.4 1.0
HD3 D:PRO138 5.0 38.8 1.0
H D:GLY46 5.0 36.6 1.0
N D:THR116 5.0 28.6 1.0

Chlorine binding site 8 out of 8 in 5w16

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Chlorine binding site 8 out of 8 in the Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate


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 Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl307

b:75.8
occ:1.00
HE D:ARG54 2.4 46.8 1.0
HH21 D:ARG54 3.0 45.6 1.0
HE1 D:PHE55 3.1 30.5 1.0
NE D:ARG54 3.3 39.0 1.0
HG3 D:MET51 3.4 31.4 1.0
HB2 D:ARG54 3.6 34.5 1.0
NH2 D:ARG54 3.7 38.0 1.0
CE1 D:PHE55 3.9 25.4 1.0
HD1 D:PHE55 3.9 30.6 1.0
CZ D:ARG54 3.9 44.2 1.0
HB3 D:ARG54 4.0 34.5 1.0
O A:GLU255 4.1 61.5 1.0
HD2 D:ARG54 4.2 48.6 1.0
CB D:ARG54 4.2 28.8 1.0
HA D:MET51 4.3 30.5 1.0
CD1 D:PHE55 4.3 25.5 1.0
CD D:ARG54 4.3 40.5 1.0
CG D:MET51 4.3 26.1 1.0
HG2 D:MET51 4.4 31.4 1.0
HH22 D:ARG54 4.4 45.6 1.0
O D:MET51 4.6 26.7 1.0
CG D:ARG54 4.9 36.4 1.0
CZ D:PHE55 4.9 29.7 1.0
HE2 D:MET51 4.9 40.2 1.0
HA A:GLU255 5.0 79.4 1.0

Reference:

G.T.Cooling, N.R.Vance, M.A.Spies. Crystal Structure of Glutamate Racemase From Thermus Thermophilus in Complex with D-Glutamate To Be Published.
Page generated: Fri Jul 26 19:08:28 2024

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