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Chlorine in PDB 1m6s: Crystal Structure of Threonine Aldolase

Enzymatic activity of Crystal Structure of Threonine Aldolase

All present enzymatic activity of Crystal Structure of Threonine Aldolase:
4.1.2.5;

Protein crystallography data

The structure of Crystal Structure of Threonine Aldolase, PDB code: 1m6s was solved by S.K.Burley, C.L.Kielkopf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 95.890, 100.600, 149.820, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 21.3

Other elements in 1m6s:

The structure of Crystal Structure of Threonine Aldolase also contains other interesting chemical elements:

Calcium (Ca) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Threonine Aldolase (pdb code 1m6s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Threonine Aldolase, PDB code: 1m6s:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1m6s

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Chlorine binding site 1 out of 6 in the Crystal Structure of Threonine Aldolase


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 Threonine Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1306

b:17.3
occ:1.00
 O A:HOH1408 3.0 23.5 1.0
O B:HOH1448 3.1 24.3 1.0
N A:ARG72 3.2 13.9 1.0
N B:ARG72 3.2 13.4 1.0
CA A:GLN71 3.6 14.1 1.0
CA B:GLN71 3.6 15.1 1.0
CB A:GLN71 3.8 17.1 1.0
CB B:GLN71 3.8 18.1 1.0
C A:GLN71 3.8 14.3 1.0
C B:GLN71 3.9 13.9 1.0
CB B:ARG72 4.1 16.0 1.0
CB A:ARG72 4.1 15.4 1.0
CG A:GLN71 4.1 21.4 1.0
NH2 A:ARG72 4.2 22.1 1.0
NH2 B:ARG72 4.2 21.1 1.0
CG B:GLN71 4.2 22.1 1.0
NE A:ARG72 4.2 21.3 1.0
CA B:ARG72 4.2 14.3 1.0
CZ A:ARG72 4.2 19.9 1.0
CA A:ARG72 4.2 14.3 1.0
CZ B:ARG72 4.3 18.9 1.0
CG A:ARG72 4.3 19.2 1.0
NE B:ARG72 4.4 19.0 1.0
CG B:ARG72 4.5 18.1 1.0
OE1 B:GLN71 4.5 30.2 1.0
OE1 A:GLN71 4.6 29.3 1.0
O B:HOH1456 4.7 31.2 1.0
NH1 B:ARG72 4.8 17.3 1.0
NH1 A:ARG72 4.8 18.9 1.0
CD A:GLN71 4.9 26.4 1.0
CD B:GLN71 4.9 26.2 1.0
N A:GLN71 4.9 13.0 1.0
CD A:ARG72 4.9 18.4 1.0
O A:HOH1385 4.9 16.4 1.0
N B:GLN71 4.9 13.4 1.0
O A:THR70 4.9 11.3 1.0
O B:THR70 5.0 13.8 1.0

Chlorine binding site 2 out of 6 in 1m6s

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Chlorine binding site 2 out of 6 in the Crystal Structure of Threonine Aldolase


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 Threonine Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1311

b:24.6
occ:1.00
 N D:VAL25 3.2 14.9 1.0
NH2 A:ARG17 3.5 16.8 1.0
O D:HOH1476 3.6 35.8 1.0
NZ A:LYS11 3.7 28.7 1.0
CA D:GLU24 3.7 17.5 1.0
CD A:LYS11 3.7 23.7 1.0
CG2 D:VAL25 3.9 11.9 1.0
C D:GLU24 4.0 16.9 1.0
O D:VAL25 4.0 12.9 1.0
O D:ALA23 4.0 17.4 1.0
O A:HOH1471 4.1 35.5 1.0
CE A:LYS11 4.2 24.9 1.0
O D:HOH1560 4.2 44.5 1.0
CA D:VAL25 4.3 13.0 1.0
CB D:GLU24 4.5 19.5 1.0
C D:VAL25 4.5 13.4 1.0
CB D:VAL25 4.6 12.8 1.0
CZ A:ARG17 4.7 17.6 1.0
N D:GLU24 4.7 18.3 1.0
C D:ALA23 4.8 17.7 1.0
CG A:LYS11 4.9 20.8 1.0

Chlorine binding site 3 out of 6 in 1m6s

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Chlorine binding site 3 out of 6 in the Crystal Structure of Threonine Aldolase


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 Threonine Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1308

b:23.1
occ:1.00
 N C:VAL25 3.2 14.9 1.0
NH2 B:ARG17 3.5 16.8 1.0
NZ B:LYS11 3.5 23.5 1.0
CA C:GLU24 3.7 17.2 1.0
CD B:LYS11 3.8 20.7 1.0
O C:VAL25 3.9 14.0 1.0
CG2 C:VAL25 4.0 13.5 1.0
C C:GLU24 4.0 16.4 1.0
O C:ALA23 4.1 18.9 1.0
CE B:LYS11 4.1 21.5 1.0
CA C:VAL25 4.3 14.0 1.0
O C:HOH1595 4.4 41.7 1.0
CB C:GLU24 4.4 19.2 1.0
C C:VAL25 4.5 14.6 1.0
O B:HOH1421 4.6 27.3 1.0
CB C:VAL25 4.7 11.8 1.0
CZ B:ARG17 4.7 17.6 1.0
N C:GLU24 4.8 18.1 1.0
O B:HOH1504 4.8 34.6 1.0
C C:ALA23 4.9 19.7 1.0
CG B:LYS11 5.0 17.5 1.0

Chlorine binding site 4 out of 6 in 1m6s

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Chlorine binding site 4 out of 6 in the Crystal Structure of Threonine Aldolase


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 Threonine Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1307

b:20.0
occ:1.00
 O C:HOH1379 2.9 21.4 1.0
N C:ARG72 3.1 15.1 0.5
N C:ARG72 3.1 16.0 0.5
N D:ARG72 3.1 15.6 1.0
O C:HOH1455 3.2 23.0 1.0
CA C:GLN71 3.6 17.0 1.0
CA D:GLN71 3.6 15.9 1.0
CG C:ARG72 3.8 17.8 0.5
CB C:GLN71 3.8 20.3 1.0
C C:GLN71 3.8 16.2 1.0
CB D:GLN71 3.8 18.6 1.0
C D:GLN71 3.9 15.4 1.0
CB C:ARG72 3.9 14.1 0.5
CB C:ARG72 3.9 17.4 0.5
CB D:ARG72 4.0 17.6 1.0
CA C:ARG72 4.1 15.2 0.5
CA C:ARG72 4.1 16.6 0.5
CG D:GLN71 4.1 22.7 1.0
CG C:ARG72 4.1 12.5 0.5
CA D:ARG72 4.2 16.1 1.0
CG C:GLN71 4.2 24.1 1.0
CD C:ARG72 4.2 18.9 0.5
CG D:ARG72 4.3 20.0 1.0
CZ C:ARG72 4.3 6.6 0.5
CZ D:ARG72 4.4 21.2 1.0
NE C:ARG72 4.4 7.6 0.5
NE D:ARG72 4.5 21.2 1.0
NH2 D:ARG72 4.5 22.0 1.0
NH2 C:ARG72 4.5 6.9 0.5
NE2 C:GLN71 4.6 28.8 1.0
NH1 C:ARG72 4.7 6.0 0.5
O C:HOH1493 4.8 23.3 1.0
O D:THR70 4.9 15.1 1.0
N D:GLN71 4.9 14.8 1.0
NH1 D:ARG72 4.9 18.0 1.0
CD C:GLN71 4.9 28.3 1.0
CD C:ARG72 4.9 8.2 0.5
N C:GLN71 4.9 16.5 1.0
O C:THR70 5.0 16.1 1.0

Chlorine binding site 5 out of 6 in 1m6s

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Chlorine binding site 5 out of 6 in the Crystal Structure of Threonine Aldolase


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 Threonine Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1309

b:21.3
occ:1.00
 N B:VAL25 3.2 16.5 1.0
NZ C:LYS11 3.3 23.6 1.0
NH2 C:ARG17 3.4 15.1 1.0
CA B:GLU24 3.7 19.2 1.0
CD C:LYS11 3.8 20.7 1.0
C B:GLU24 3.9 18.6 1.0
O B:VAL25 4.0 14.1 1.0
CG2 B:VAL25 4.0 15.5 1.0
O B:ALA23 4.0 16.9 1.0
CE C:LYS11 4.0 20.6 1.0
CG B:GLU24 4.2 28.4 1.0
CA B:VAL25 4.3 15.1 1.0
CB B:GLU24 4.4 22.7 1.0
O C:HOH1414 4.5 28.2 1.0
C B:VAL25 4.5 14.2 1.0
CZ C:ARG17 4.7 17.8 1.0
CB B:VAL25 4.7 14.3 1.0
N B:GLU24 4.7 18.8 1.0
C B:ALA23 4.8 18.5 1.0

Chlorine binding site 6 out of 6 in 1m6s

Go back to Chlorine Binding Sites List in 1m6s
Chlorine binding site 6 out of 6 in the Crystal Structure of Threonine Aldolase


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 Threonine Aldolase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1310

b:25.1
occ:1.00
 N A:VAL25 3.2 18.1 1.0
NH2 D:ARG17 3.3 20.6 1.0
NZ D:LYS11 3.5 27.2 1.0
CA A:GLU24 3.7 19.4 1.0
CD D:LYS11 3.8 25.7 1.0
O A:VAL25 3.9 16.9 1.0
CG2 A:VAL25 3.9 16.0 1.0
C A:GLU24 3.9 18.9 1.0
O A:ALA23 4.1 19.0 1.0
CE D:LYS11 4.2 25.8 1.0
CA A:VAL25 4.2 16.6 1.0
CB A:GLU24 4.4 20.3 1.0
O D:HOH1446 4.4 33.8 1.0
O A:HOH1580 4.5 40.0 1.0
C A:VAL25 4.5 16.7 1.0
CZ D:ARG17 4.5 20.2 1.0
CB A:VAL25 4.6 16.4 1.0
N A:GLU24 4.8 20.0 1.0
C A:ALA23 4.9 20.9 1.0
O D:HOH1557 5.0 41.7 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: Sat Jul 20 00:02:48 2024

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