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Chlorine in PDB 1lw5: X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with Glycine

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

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

Protein crystallography data

The structure of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with Glycine, PDB code: 1lw5 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 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 96.020, 100.710, 150.200, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 23.7

Other elements in 1lw5:

The structure of X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with Glycine 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 Glycine (pdb code 1lw5). 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 Glycine, PDB code: 1lw5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1lw5

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Chlorine binding site 1 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with Glycine


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 Glycine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1010

b:27.8
occ:1.00
 O A:HOH1207 2.8 40.4 1.0
N A:ARG72 3.2 25.8 1.0
N B:ARG72 3.3 21.8 1.0
O B:HOH1199 3.4 40.5 1.0
CA A:GLN71 3.6 24.9 1.0
CA B:GLN71 3.6 25.2 1.0
CB A:GLN71 3.7 25.6 1.0
C A:GLN71 3.9 25.8 1.0
CB B:GLN71 3.9 29.3 1.0
C B:GLN71 3.9 23.6 1.0
CG A:ARG72 4.0 29.6 1.0
CB A:ARG72 4.1 28.9 1.0
CG A:GLN71 4.1 29.9 1.0
CB B:ARG72 4.2 25.0 1.0
CZ A:ARG72 4.2 31.9 1.0
CG B:GLN71 4.2 34.8 1.0
CA A:ARG72 4.2 27.0 1.0
CA B:ARG72 4.3 22.1 1.0
CG B:ARG72 4.3 27.6 1.0
NE A:ARG72 4.4 34.0 1.0
NH2 A:ARG72 4.4 28.9 1.0
NH1 A:ARG72 4.5 28.0 1.0
O B:HOH1224 4.5 41.5 1.0
NE2 A:GLN71 4.5 36.0 1.0
CZ B:ARG72 4.6 25.3 1.0
O A:HOH1208 4.7 41.2 1.0
NE B:ARG72 4.8 28.4 1.0
NH2 B:ARG72 4.8 21.9 1.0
NH1 B:ARG72 4.8 20.3 1.0
O B:THR70 4.8 22.5 1.0
CD A:ARG72 4.8 31.6 1.0
CD A:GLN71 4.8 36.0 1.0
N B:GLN71 4.9 23.3 1.0
N A:GLN71 4.9 22.9 1.0

Chlorine binding site 2 out of 6 in 1lw5

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Chlorine binding site 2 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with Glycine


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 Glycine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1012

b:36.5
occ:1.00
 N C:VAL25 3.2 23.5 1.0
NH2 B:ARG17 3.4 18.4 1.0
NZ B:LYS11 3.5 30.6 1.0
CA C:GLU24 3.7 26.8 1.0
CD B:LYS11 3.7 23.3 1.0
CG2 C:VAL25 3.8 21.1 1.0
O C:VAL25 3.9 23.0 1.0
C C:GLU24 3.9 26.4 1.0
O C:ALA23 4.0 29.3 1.0
CE B:LYS11 4.1 25.2 1.0
CA C:VAL25 4.2 22.4 1.0
O C:HOH1187 4.2 43.6 1.0
O B:HOH1098 4.4 29.6 1.0
C C:VAL25 4.4 24.4 1.0
CB C:GLU24 4.5 27.9 1.0
O C:HOH1186 4.5 45.9 1.0
CB C:VAL25 4.6 20.8 1.0
CZ B:ARG17 4.7 21.1 1.0
N C:GLU24 4.8 26.1 1.0
C C:ALA23 4.8 28.7 1.0
CG B:LYS11 4.9 24.7 1.0

Chlorine binding site 3 out of 6 in 1lw5

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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 Glycine


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 Glycine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1013

b:34.7
occ:1.00
 O C:HOH1183 3.2 45.4 1.0
N B:VAL25 3.2 21.9 1.0
NH2 C:ARG17 3.4 22.9 1.0
NZ C:LYS11 3.5 30.6 1.0
CA B:GLU24 3.7 25.0 1.0
CG2 B:VAL25 3.9 18.9 1.0
O B:VAL25 3.9 22.2 1.0
C B:GLU24 3.9 23.8 1.0
O B:ALA23 4.0 21.6 1.0
CD C:LYS11 4.0 25.9 1.0
CE C:LYS11 4.2 28.4 1.0
CG B:GLU24 4.2 35.5 1.0
CA B:VAL25 4.3 20.7 1.0
O B:HOH1155 4.4 43.4 1.0
O C:HOH1101 4.4 36.6 1.0
O B:HOH1182 4.4 44.6 1.0
CB B:GLU24 4.5 25.9 1.0
C B:VAL25 4.5 20.1 1.0
CZ C:ARG17 4.7 26.9 1.0
CB B:VAL25 4.7 20.0 1.0
N B:GLU24 4.7 22.5 1.0
C B:ALA23 4.7 23.0 1.0

Chlorine binding site 4 out of 6 in 1lw5

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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 Glycine


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 Glycine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1011

b:30.5
occ:1.00
 N D:ARG72 2.9 23.7 1.0
O C:HOH1076 3.1 35.6 1.0
N C:ARG72 3.1 15.9 0.5
O C:HOH1105 3.4 31.4 1.0
CA D:GLN71 3.5 23.2 1.0
O C:HOH1215 3.5 43.8 1.0
C D:GLN71 3.7 24.8 1.0
CB D:GLN71 3.7 24.7 1.0
CA C:GLN71 3.8 23.5 1.0
CB D:ARG72 3.8 27.8 1.0
CB C:ARG72 3.9 16.0 0.5
CA D:ARG72 3.9 25.4 1.0
C C:GLN71 3.9 20.6 1.0
CG D:ARG72 4.0 30.5 1.0
CB C:GLN71 4.0 25.3 1.0
CG C:ARG72 4.1 15.5 0.5
CA C:ARG72 4.1 14.6 0.5
CZ C:ARG72 4.2 13.7 0.5
CG D:GLN71 4.3 31.5 1.0
CG C:GLN71 4.3 33.3 1.0
NE C:ARG72 4.3 14.6 0.5
CZ D:ARG72 4.3 32.8 1.0
NH1 C:ARG72 4.3 11.6 0.5
NE D:ARG72 4.3 33.0 1.0
NH2 C:ARG72 4.5 15.1 0.5
NH2 D:ARG72 4.5 29.2 1.0
NH1 D:ARG72 4.7 25.2 1.0
CD D:ARG72 4.8 32.7 1.0
N D:GLN71 4.8 20.9 1.0
CD C:ARG72 4.8 15.9 0.5
O D:THR70 4.9 21.7 1.0
O D:GLN71 4.9 21.5 1.0
CD D:GLN71 4.9 36.1 1.0

Chlorine binding site 5 out of 6 in 1lw5

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Chlorine binding site 5 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with Glycine


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 Glycine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1014

b:37.1
occ:1.00
 N D:VAL25 3.2 22.6 1.0
NZ A:LYS11 3.5 34.8 1.0
NH2 A:ARG17 3.6 24.8 1.0
CD A:LYS11 3.7 30.4 1.0
CA D:GLU24 3.7 25.2 1.0
O D:HOH1147 3.8 37.6 1.0
CG2 D:VAL25 3.9 15.2 1.0
C D:GLU24 4.0 26.0 1.0
O D:VAL25 4.0 22.0 1.0
O D:ALA23 4.0 24.2 1.0
CE A:LYS11 4.1 29.8 1.0
CA D:VAL25 4.3 21.2 1.0
O D:HOH1227 4.4 43.2 1.0
C D:VAL25 4.6 21.7 1.0
CB D:GLU24 4.6 28.9 1.0
CB D:VAL25 4.6 20.6 1.0
O A:HOH1103 4.7 48.7 1.0
N D:GLU24 4.8 24.2 1.0
CZ A:ARG17 4.8 25.9 1.0
C D:ALA23 4.8 25.6 1.0
CG A:LYS11 4.9 27.6 1.0

Chlorine binding site 6 out of 6 in 1lw5

Go back to Chlorine Binding Sites List in 1lw5
Chlorine binding site 6 out of 6 in the X-Ray Structure of L-Threonine Aldolase (Low-Specificity) in Complex with Glycine


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 Glycine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1015

b:38.1
occ:1.00
 N A:VAL25 3.1 26.6 1.0
NZ D:LYS11 3.2 31.5 1.0
NH2 D:ARG17 3.5 29.2 1.0
CA A:GLU24 3.6 26.8 1.0
O A:VAL25 3.8 25.2 1.0
CD D:LYS11 3.8 30.3 1.0
C A:GLU24 3.9 27.1 1.0
CG2 A:VAL25 3.9 25.2 1.0
CE D:LYS11 4.0 31.1 1.0
O A:ALA23 4.1 25.1 1.0
O A:HOH1212 4.2 41.6 1.0
CA A:VAL25 4.2 25.6 1.0
CB A:GLU24 4.3 28.1 1.0
C A:VAL25 4.4 26.7 1.0
O D:HOH1059 4.5 28.5 1.0
CB A:VAL25 4.6 25.2 1.0
N A:GLU24 4.7 26.5 1.0
CZ D:ARG17 4.7 28.8 1.0
C A:ALA23 4.8 27.0 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 23:56:06 2024

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