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Chlorine in PDB 1lw4: X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine

Enzymatic activity of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine

All present enzymatic activity of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine:
4.1.2.5;

Protein crystallography data

The structure of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine, PDB code: 1lw4 was solved by C.L.Kielkopf, S.K.Burley, New York Sgx Research Center For Structuralgenomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 95.900, 100.500, 150.320, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 20.6

Other elements in 1lw4:

The structure of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine also contains other interesting chemical elements:

Calcium (Ca) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine (pdb code 1lw4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine, PDB code: 1lw4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1lw4

Go back to Chlorine Binding Sites List in 1lw4
Chlorine binding site 1 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1060

b:19.3
occ:1.00
 N A:ARG72 3.1 17.0 1.0
O B:HOH1193 3.2 30.3 1.0
N B:ARG72 3.2 15.6 1.0
O A:HOH1204 3.2 29.7 1.0
CA A:GLN71 3.6 18.0 1.0
CA B:GLN71 3.7 16.2 1.0
CB A:GLN71 3.8 19.8 1.0
C A:GLN71 3.8 18.1 1.0
CB B:GLN71 3.9 20.8 1.0
C B:GLN71 3.9 16.1 1.0
CB A:ARG72 4.0 21.9 1.0
CG A:ARG72 4.0 22.2 1.0
CB B:ARG72 4.1 18.4 1.0
CG B:ARG72 4.1 22.5 1.0
CA A:ARG72 4.2 17.6 1.0
CA B:ARG72 4.2 16.8 1.0
CG A:GLN71 4.2 25.7 1.0
CZ A:ARG72 4.3 24.2 1.0
CZ B:ARG72 4.4 21.8 1.0
CG B:GLN71 4.4 27.3 1.0
NE A:ARG72 4.4 26.6 1.0
NE2 A:GLN71 4.5 32.7 1.0
NH1 B:ARG72 4.5 16.4 1.0
NH2 A:ARG72 4.5 22.3 1.0
O B:HOH1274 4.6 40.1 1.0
NH1 A:ARG72 4.6 19.8 1.0
NE B:ARG72 4.6 23.4 1.0
NH2 B:ARG72 4.6 16.0 1.0
CD A:ARG72 4.9 25.3 1.0
NE2 B:GLN71 4.9 34.7 1.0
N A:GLN71 4.9 15.8 1.0
O A:THR70 4.9 15.3 1.0
CD A:GLN71 4.9 31.7 1.0
O B:THR70 5.0 15.4 1.0
N B:GLN71 5.0 14.8 1.0

Chlorine binding site 2 out of 6 in 1lw4

Go back to Chlorine Binding Sites List in 1lw4
Chlorine binding site 2 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1064

b:31.8
occ:1.00
 N D:VAL25 3.2 18.4 1.0
NH2 A:ARG17 3.5 24.5 1.0
O D:HOH1215 3.5 37.3 1.0
NZ A:LYS11 3.6 36.3 1.0
CA D:GLU24 3.7 22.3 1.0
CD A:LYS11 3.7 31.3 1.0
C D:GLU24 3.9 22.3 1.0
O D:ALA23 4.0 19.9 1.0
O D:VAL25 4.0 17.5 1.0
CG2 D:VAL25 4.0 15.1 1.0
CE A:LYS11 4.1 31.5 1.0
O A:HOH1232 4.1 38.3 1.0
CA D:VAL25 4.3 17.3 1.0
CB D:GLU24 4.5 27.8 1.0
C D:VAL25 4.5 17.5 1.0
CB D:VAL25 4.7 15.3 1.0
N D:GLU24 4.7 22.1 1.0
CZ A:ARG17 4.7 24.1 1.0
C D:ALA23 4.8 21.1 1.0
CG A:LYS11 4.9 27.1 1.0

Chlorine binding site 3 out of 6 in 1lw4

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Chlorine binding site 3 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1063

b:29.5
occ:1.00
 N C:VAL25 3.2 18.0 1.0
NH2 B:ARG17 3.4 21.6 1.0
NZ B:LYS11 3.7 33.4 1.0
CA C:GLU24 3.7 21.6 1.0
CD B:LYS11 3.8 24.8 1.0
CG2 C:VAL25 3.9 16.8 1.0
O C:HOH1294 3.9 40.7 1.0
O C:VAL25 4.0 19.2 1.0
C C:GLU24 4.0 21.1 1.0
O C:ALA23 4.1 22.5 1.0
CE B:LYS11 4.1 27.7 1.0
CA C:VAL25 4.2 17.9 1.0
O B:HOH1145 4.4 27.0 1.0
CB C:GLU24 4.4 25.8 1.0
C C:VAL25 4.5 20.0 1.0
CB C:VAL25 4.6 17.7 1.0
CZ B:ARG17 4.7 23.6 1.0
O B:HOH1242 4.7 32.4 1.0
N C:GLU24 4.8 19.4 1.0
C C:ALA23 4.9 23.2 1.0
CG B:LYS11 4.9 22.4 1.0

Chlorine binding site 4 out of 6 in 1lw4

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Chlorine binding site 4 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1065

b:28.2
occ:1.00
 N B:VAL25 3.3 17.5 1.0
NH2 C:ARG17 3.4 19.5 1.0
NZ C:LYS11 3.7 32.1 1.0
CA B:GLU24 3.7 21.2 1.0
O B:HOH1246 3.9 38.6 1.0
O B:VAL25 3.9 17.0 1.0
CD C:LYS11 3.9 26.2 1.0
O B:ALA23 4.0 17.5 1.0
CG2 B:VAL25 4.0 18.2 1.0
C B:GLU24 4.0 21.0 1.0
O B:HOH1286 4.1 40.9 1.0
CE C:LYS11 4.2 28.0 1.0
CA B:VAL25 4.3 16.7 1.0
C B:VAL25 4.5 17.0 1.0
CB B:GLU24 4.5 23.9 1.0
O C:HOH1143 4.6 29.8 1.0
CZ C:ARG17 4.7 22.8 1.0
N B:GLU24 4.7 20.1 1.0
CB B:VAL25 4.7 16.3 1.0
C B:ALA23 4.8 20.1 1.0

Chlorine binding site 5 out of 6 in 1lw4

Go back to Chlorine Binding Sites List in 1lw4
Chlorine binding site 5 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1061

b:24.5
occ:1.00
 N D:ARG72 3.0 16.9 1.0
O C:HOH1163 3.1 28.2 1.0
N C:ARG72 3.1 10.2 0.5
O D:HOH1135 3.2 25.7 1.0
CA D:GLN71 3.6 17.0 1.0
CA C:GLN71 3.7 16.9 1.0
CB D:GLN71 3.8 17.1 1.0
C D:GLN71 3.8 16.3 1.0
C C:GLN71 3.9 16.9 1.0
CB C:GLN71 3.9 19.3 1.0
CB D:ARG72 3.9 20.6 1.0
CB C:ARG72 3.9 11.9 0.5
O D:HOH1271 3.9 43.4 1.0
CG D:ARG72 4.0 26.0 1.0
CA D:ARG72 4.0 17.6 1.0
CA C:ARG72 4.1 11.7 0.5
CG D:GLN71 4.2 25.1 1.0
CG C:ARG72 4.2 14.1 0.5
CG C:GLN71 4.2 26.1 1.0
CZ D:ARG72 4.3 28.8 1.0
NE C:ARG72 4.4 11.3 0.5
CZ C:ARG72 4.4 10.7 0.5
NE D:ARG72 4.4 28.9 1.0
NH1 C:ARG72 4.5 3.3 0.5
NH2 D:ARG72 4.5 23.3 1.0
NH1 D:ARG72 4.6 21.3 1.0
CD D:ARG72 4.8 26.4 1.0
CD D:GLN71 4.8 34.5 1.0
NH2 C:ARG72 4.9 10.3 0.5
O C:HOH1171 4.9 26.4 1.0
CD C:ARG72 4.9 11.7 0.5
N D:GLN71 4.9 14.7 1.0
O D:THR70 4.9 15.4 1.0
CD C:GLN71 5.0 31.1 1.0
O C:THR70 5.0 17.1 1.0
N C:GLN71 5.0 16.1 1.0

Chlorine binding site 6 out of 6 in 1lw4

Go back to Chlorine Binding Sites List in 1lw4
Chlorine binding site 6 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with L-Allo-Threonine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1062

b:31.8
occ:1.00
 N A:VAL25 3.2 21.7 1.0
NZ D:LYS11 3.3 34.3 1.0
NH2 D:ARG17 3.4 23.6 1.0
CA A:GLU24 3.6 24.1 1.0
CD D:LYS11 3.8 30.7 1.0
O A:VAL25 3.9 18.3 1.0
C A:GLU24 3.9 23.4 1.0
CG2 A:VAL25 4.0 18.7 1.0
CE D:LYS11 4.0 32.3 1.0
O A:ALA23 4.1 20.6 1.0
CA A:VAL25 4.3 20.1 1.0
O A:HOH1293 4.3 40.4 1.0
O D:HOH1133 4.3 29.0 1.0
CB A:GLU24 4.3 27.7 1.0
C A:VAL25 4.5 20.8 1.0
CZ D:ARG17 4.7 23.0 1.0
CB A:VAL25 4.7 19.4 1.0
N A:GLU24 4.7 22.9 1.0
C A:ALA23 4.8 22.8 1.0

Reference:

C.L.Kielkopf, S.K.Burley. X-Ray Structures of Threonine Aldolase Complexes: Structural Basis of Substrate Recognition Biochemistry V. 41 11711 2002.
ISSN: ISSN 0006-2960
PubMed: 12269813
DOI: 10.1021/BI020393+
Page generated: Fri Jul 19 23:56:04 2024

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