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Chlorine in PDB 2fm1: Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution

Protein crystallography data

The structure of Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution, PDB code: 2fm1 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 83.33 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 95.614, 100.405, 149.648, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 21.6

Other elements in 2fm1:

The structure of Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution (pdb code 2fm1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution, PDB code: 2fm1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 2fm1

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Chlorine binding site 1 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


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 L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl346

b:31.5
occ:1.00
 O A:HOH462 2.7 29.5 1.0
O C:HOH535 3.0 30.2 1.0
N C:ARG72 3.2 23.1 1.0
N A:ARG72 3.2 20.4 1.0
CA A:GLN71 3.6 24.4 1.0
CA C:GLN71 3.6 25.0 1.0
CB A:GLN71 3.8 24.7 1.0
CB C:GLN71 3.8 25.3 1.0
C C:GLN71 3.9 23.4 1.0
C A:GLN71 3.9 21.6 1.0
CB A:ARG72 4.0 21.8 1.0
CB C:ARG72 4.1 24.2 1.0
CG A:GLN71 4.1 38.1 1.0
CG C:GLN71 4.1 36.5 1.0
CA C:ARG72 4.2 22.5 1.0
CA A:ARG72 4.2 23.9 1.0
CG A:ARG72 4.3 30.3 1.0
CZ C:ARG72 4.3 22.1 1.0
CG C:ARG72 4.3 31.3 1.0
CZ A:ARG72 4.4 24.2 1.0
NE C:ARG72 4.4 28.3 1.0
NH2 C:ARG72 4.5 23.4 1.0
NE A:ARG72 4.5 30.3 1.0
NH2 A:ARG72 4.5 22.1 1.0
O C:HOH478 4.5 28.9 1.0
O A:HOH553 4.6 34.6 1.0
NH1 A:ARG72 4.7 26.5 1.0
NE2 A:GLN71 4.7 51.5 1.0
NH1 C:ARG72 4.7 22.6 1.0
N A:GLN71 4.9 23.5 1.0
CD A:GLN71 4.9 48.9 1.0
CD C:GLN71 4.9 49.6 1.0
O A:THR70 4.9 23.9 1.0
N C:GLN71 5.0 20.2 1.0
CD C:ARG72 5.0 30.5 1.0

Chlorine binding site 2 out of 10 in 2fm1

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Chlorine binding site 2 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


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 L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl347

b:32.7
occ:1.00
 N A:VAL25 3.3 25.2 1.0
NH2 D:ARG17 3.3 26.0 1.0
CA A:GLU24 3.6 28.8 1.0
NZ D:LYS11 3.7 31.4 1.0
O A:ALA23 3.9 29.5 1.0
C A:GLU24 4.0 26.8 1.0
CD D:LYS11 4.0 29.1 1.0
CG2 A:VAL25 4.0 25.1 1.0
O A:VAL25 4.0 22.1 1.0
CG A:GLU24 4.0 43.7 1.0
CE D:LYS11 4.2 29.8 1.0
CA A:VAL25 4.3 22.0 1.0
CB A:GLU24 4.4 26.1 1.0
O D:HOH492 4.5 31.4 1.0
CZ D:ARG17 4.5 24.8 1.0
C A:VAL25 4.6 21.1 1.0
N A:GLU24 4.6 27.8 1.0
CB A:VAL25 4.6 21.3 1.0
C A:ALA23 4.7 28.4 1.0
CG D:LYS11 4.9 26.6 1.0

Chlorine binding site 3 out of 10 in 2fm1

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Chlorine binding site 3 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


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 L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl348

b:33.4
occ:1.00
 N D:VAL25 3.3 24.6 1.0
NH2 A:ARG17 3.4 25.3 1.0
NZ A:LYS11 3.6 29.8 1.0
CA D:GLU24 3.8 27.6 1.0
CG2 D:VAL25 3.8 19.0 1.0
CD A:LYS11 3.9 27.6 1.0
O D:VAL25 3.9 21.1 1.0
O D:ALA23 4.0 27.1 1.0
O D:HOH562 4.1 37.1 1.0
C D:GLU24 4.1 26.5 1.0
CA D:VAL25 4.3 23.3 1.0
CE A:LYS11 4.3 29.1 1.0
CG D:GLU24 4.4 43.0 1.0
C D:VAL25 4.5 21.5 1.0
CB D:VAL25 4.5 22.3 1.0
CZ A:ARG17 4.6 21.1 1.0
CB D:GLU24 4.7 27.3 1.0
N D:GLU24 4.7 25.7 1.0
C D:ALA23 4.7 27.0 1.0
CG A:LYS11 4.8 26.4 1.0

Chlorine binding site 4 out of 10 in 2fm1

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Chlorine binding site 4 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


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 L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl344

b:28.0
occ:1.00
 N B:VAL25 3.3 23.4 1.0
NH2 C:ARG17 3.4 30.4 1.0
NZ C:LYS11 3.7 32.8 1.0
CD C:LYS11 3.8 28.6 1.0
CA B:GLU24 3.8 27.1 1.0
CG2 B:VAL25 3.9 23.8 1.0
O B:VAL25 3.9 22.4 1.0
O B:ALA23 3.9 26.5 1.0
C B:GLU24 4.1 24.3 1.0
O B:HOH553 4.1 39.7 1.0
CA B:VAL25 4.2 21.8 1.0
CE C:LYS11 4.3 28.3 1.0
O C:HOH552 4.4 37.2 1.0
CG B:GLU24 4.4 39.2 1.0
C B:VAL25 4.5 20.8 1.0
CB B:VAL25 4.5 21.5 1.0
CZ C:ARG17 4.6 26.7 1.0
CB B:GLU24 4.7 26.2 1.0
C B:ALA23 4.8 27.2 1.0
N B:GLU24 4.8 26.8 1.0
CG C:LYS11 4.9 25.6 1.0
CG1 B:VAL25 5.0 25.1 1.0

Chlorine binding site 5 out of 10 in 2fm1

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Chlorine binding site 5 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


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 L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl345

b:32.9
occ:1.00
 O B:HOH391 3.0 27.6 1.0
O B:HOH566 3.1 33.4 1.0
N B:VAL145 3.3 22.6 1.0
CG B:LYS278 3.5 31.9 1.0
NE B:ARG144 3.5 38.3 1.0
CA B:ARG144 3.8 23.9 1.0
CB B:LYS278 3.8 27.3 1.0
CB B:VAL145 3.9 22.0 1.0
CG2 B:VAL145 3.9 24.2 1.0
CD B:ARG144 3.9 29.1 1.0
CB B:ARG144 4.1 22.1 1.0
C B:ARG144 4.1 22.5 1.0
CA B:VAL145 4.2 23.5 1.0
O B:ASP276 4.3 23.6 1.0
O B:VAL145 4.5 24.9 1.0
O B:HOH504 4.6 33.8 1.0
CZ B:ARG144 4.6 35.9 1.0
CG B:ARG144 4.6 24.7 1.0
O B:GLY143 4.7 25.1 1.0
C B:VAL145 4.8 23.3 1.0
NH2 B:ARG144 4.9 39.1 1.0
CD B:LYS278 4.9 36.2 1.0
N B:LYS278 4.9 24.9 1.0
CA B:LYS278 4.9 26.1 1.0
O B:HOH552 5.0 31.9 1.0
N B:ARG144 5.0 25.0 1.0

Chlorine binding site 6 out of 10 in 2fm1

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Chlorine binding site 6 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


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 L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl346

b:31.0
occ:1.00
 N C:VAL25 3.3 24.4 1.0
NZ B:LYS11 3.3 30.7 1.0
NH2 B:ARG17 3.5 26.1 1.0
CD B:LYS11 3.7 27.4 1.0
O C:HOH504 3.7 42.5 1.0
CA C:GLU24 3.7 27.2 1.0
O C:VAL25 3.8 21.9 1.0
CG2 C:VAL25 4.0 23.0 1.0
C C:GLU24 4.0 25.1 1.0
O C:ALA23 4.0 25.2 1.0
CE B:LYS11 4.1 26.8 1.0
CA C:VAL25 4.2 21.7 1.0
CG C:GLU24 4.3 42.5 1.0
C C:VAL25 4.4 21.9 1.0
CB C:VAL25 4.6 21.6 1.0
CB C:GLU24 4.6 29.2 1.0
O B:HOH430 4.7 28.4 1.0
N C:GLU24 4.7 25.8 1.0
CZ B:ARG17 4.7 24.6 1.0
C C:ALA23 4.8 26.7 1.0
CG B:LYS11 4.8 26.8 1.0
CG1 C:VAL25 5.0 22.4 1.0

Chlorine binding site 7 out of 10 in 2fm1

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Chlorine binding site 7 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


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 L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl344

b:58.8
occ:1.00
 N C:ILE124 3.6 24.5 1.0
NZ A:LYS221 3.7 31.7 1.0
CA C:ILE124 3.7 22.7 1.0
C C:ASN123 3.8 24.6 1.0
NH1 C:ARG122 3.9 80.8 1.0
O C:ASN123 3.9 24.1 1.0
CD A:LYS221 4.0 26.4 1.0
O A:HOH399 4.1 23.5 1.0
CE A:LYS221 4.2 34.6 1.0
N C:ASN123 4.3 31.7 1.0
O A:HOH502 4.4 28.2 1.0
CG A:LYS221 4.4 29.6 1.0
CA C:ASN123 4.5 28.2 1.0
CB C:ILE124 4.6 23.5 1.0
CG C:ARG122 4.6 46.3 1.0
CZ C:ARG122 4.7 77.6 1.0
CB A:LYS221 4.8 20.6 1.0
C C:ILE124 4.8 24.0 1.0
C C:ARG122 5.0 33.0 1.0
CG1 C:ILE124 5.0 23.3 1.0

Chlorine binding site 8 out of 10 in 2fm1

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Chlorine binding site 8 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


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 L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl345

b:35.0
occ:1.00
 O C:HOH546 2.9 39.0 1.0
O C:HOH434 3.3 26.1 1.0
O C:HOH603 3.3 42.3 1.0
N C:VAL145 3.3 21.1 1.0
CG C:LYS278 3.5 33.3 1.0
CB C:LYS278 3.6 31.4 1.0
CD C:ARG144 3.7 29.1 1.0
CA C:ARG144 3.8 22.4 1.0
NH1 C:ARG144 3.9 36.1 1.0
CG2 C:VAL145 4.1 24.8 1.0
C C:ARG144 4.1 21.4 1.0
CB C:VAL145 4.1 22.3 1.0
CB C:ARG144 4.2 22.4 1.0
CA C:VAL145 4.3 21.6 1.0
O C:ASP276 4.4 25.3 1.0
O C:VAL145 4.5 22.1 1.0
CG C:ARG144 4.6 23.9 1.0
NE C:ARG144 4.6 41.9 1.0
O C:GLY143 4.6 25.1 1.0
CZ C:ARG144 4.7 34.2 1.0
CA C:LYS278 4.8 26.6 1.0
N C:LYS278 4.9 26.2 1.0
C C:VAL145 4.9 23.3 1.0
O C:HOH538 4.9 35.7 1.0
N C:ARG144 4.9 24.8 1.0
CD C:LYS278 5.0 35.8 1.0

Chlorine binding site 9 out of 10 in 2fm1

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Chlorine binding site 9 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl345

b:34.3
occ:1.00
 O B:HOH502 2.8 34.8 1.0
O B:HOH573 3.0 33.2 1.0
N B:ARG72 3.1 22.3 1.0
N D:ARG72 3.1 24.0 1.0
CA D:GLN71 3.5 24.3 1.0
CB B:ARG72 3.6 23.6 1.0
CB D:GLN71 3.6 24.5 1.0
CA B:GLN71 3.7 25.2 1.0
C D:GLN71 3.8 23.2 1.0
CB B:GLN71 3.8 26.6 1.0
C B:GLN71 3.9 22.0 1.0
CA B:ARG72 3.9 24.1 1.0
CB D:ARG72 4.1 24.1 1.0
CG B:GLN71 4.1 36.5 1.0
CG D:GLN71 4.1 34.8 1.0
CA D:ARG72 4.2 25.2 1.0
CZ B:ARG72 4.3 23.4 1.0
NE B:ARG72 4.4 31.2 1.0
NH2 B:ARG72 4.4 20.8 1.0
CG D:ARG72 4.5 31.0 1.0
CZ D:ARG72 4.5 22.0 1.0
NE D:ARG72 4.6 35.1 1.0
NH2 D:ARG72 4.6 26.8 1.0
CG B:ARG72 4.7 32.5 1.0
NE2 B:GLN71 4.7 51.8 1.0
NH1 B:ARG72 4.8 26.5 1.0
N D:GLN71 4.8 22.7 1.0
O D:THR70 4.8 20.1 1.0
NH1 D:ARG72 4.8 24.5 1.0
CD B:ARG72 4.9 30.8 1.0

Chlorine binding site 10 out of 10 in 2fm1

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Chlorine binding site 10 out of 10 in the Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of L-Allo-Threonine Aldolase (TM1744) From Thermotoga Maritima at 2.25 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl346

b:34.3
occ:1.00
 O D:HOH423 2.9 28.4 1.0
O D:HOH456 3.0 27.4 1.0
N D:VAL145 3.2 21.2 1.0
NE D:ARG144 3.2 36.8 1.0
O D:HOH554 3.5 45.6 1.0
CG D:LYS278 3.6 34.7 1.0
CA D:ARG144 3.7 24.4 1.0
CD D:ARG144 3.8 29.5 1.0
CB D:LYS278 3.9 29.0 1.0
CB D:ARG144 4.0 22.4 1.0
C D:ARG144 4.0 22.7 1.0
CB D:VAL145 4.0 21.5 1.0
CG2 D:VAL145 4.1 26.4 1.0
CA D:VAL145 4.1 20.8 1.0
O D:ASP276 4.2 23.3 1.0
CZ D:ARG144 4.2 35.0 1.0
NH2 D:ARG144 4.3 41.2 1.0
O D:VAL145 4.4 28.1 1.0
CG D:ARG144 4.5 25.9 1.0
C D:VAL145 4.8 23.9 1.0
O D:GLY143 4.8 26.9 1.0
N D:LYS278 4.8 24.3 1.0
CD D:LYS278 4.9 35.3 1.0
N D:ARG144 4.9 26.3 1.0
CA D:LYS278 5.0 26.9 1.0
C D:ASP276 5.0 23.3 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 20 07:09:14 2024

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