Chlorine in PDB 5vkw: Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans

Enzymatic activity of Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans

All present enzymatic activity of Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans:
4.3.2.2;

Protein crystallography data

The structure of Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans, PDB code: 5vkw was solved by P.J.Stogios, E.Evdokimova, R.Di Leo, A.Savchenko, W.F.Anderson, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.90 / 2.00
Space group F 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 85.030, 157.845, 374.554, 90.00, 90.00, 90.00
R / Rfree (%) 15.4 / 19.5

Other elements in 5vkw:

The structure of Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans (pdb code 5vkw). 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 Adenylosuccinate Lyase ADE13 From Candida Albicans, PDB code: 5vkw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5vkw

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Chlorine binding site 1 out of 8 in the Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans


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 Adenylosuccinate Lyase ADE13 From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:38.1
occ:1.00
 O A:HOH686 3.3 40.2 1.0
NH1 A:ARG193 3.3 38.5 1.0
N A:LYS196 3.3 34.0 1.0
CG2 A:THR108 3.3 47.6 1.0
N A:GLY197 3.3 37.9 1.0
N A:THR108 3.5 50.3 1.0
CB A:PHE111 3.7 38.9 1.0
CA A:VAL195 3.7 37.8 0.9
NH2 A:ARG193 3.8 32.6 1.0
CE2 A:PHE205 3.9 50.2 1.0
CA A:ALA107 3.9 48.5 1.0
C A:VAL195 3.9 39.1 1.0
CB A:ALA107 4.0 47.8 1.0
CZ A:ARG193 4.0 34.2 1.0
CB A:VAL195 4.1 37.9 1.0
CA A:GLY197 4.1 37.9 0.9
C A:ALA107 4.2 54.0 1.0
C A:LYS196 4.3 36.3 1.0
CA A:LYS196 4.3 33.0 1.0
CB A:THR108 4.3 54.9 1.0
CA A:PHE111 4.4 38.4 1.0
CG1 A:VAL195 4.4 36.0 1.0
CA A:THR108 4.4 50.5 1.0
O A:THR108 4.5 46.9 1.0
N A:PHE111 4.5 36.6 1.0
CG A:PHE111 4.6 39.1 1.0
O A:GLY194 4.6 30.4 1.0
CD2 A:PHE205 4.7 48.0 1.0
CD1 A:PHE111 4.8 37.8 1.0
C A:THR108 4.8 47.8 1.0
CZ A:PHE205 4.8 50.9 1.0
C A:GLY197 4.9 36.2 1.0
N A:VAL195 5.0 35.8 1.0

Chlorine binding site 2 out of 8 in 5vkw

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Chlorine binding site 2 out of 8 in the Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans


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 Adenylosuccinate Lyase ADE13 From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:47.4
occ:1.00
 O A:HOH743 3.1 30.9 1.0
N A:SER204 3.1 43.5 1.0
O A:HOH939 3.2 44.6 1.0
OE1 B:GLN161 3.4 79.2 1.0
CA A:GLY197 3.4 37.9 0.9
N A:ALA203 3.4 42.5 1.0
N A:THR198 3.6 37.4 1.0
NE2 B:GLN161 3.7 79.9 1.0
CB A:SER204 3.7 54.6 1.0
CD B:GLN161 3.9 75.7 1.0
CB A:ALA203 3.9 39.1 1.0
CA A:ALA203 4.0 41.6 1.0
C A:ALA203 4.0 44.3 1.0
C A:GLY197 4.0 36.2 1.0
CA A:SER204 4.0 47.8 1.0
O B:HOH974 4.1 60.7 1.0
O B:HOH964 4.1 65.8 1.0
C A:GLN202 4.1 42.4 1.0
OG A:SER204 4.2 64.8 1.0
CA A:GLN202 4.5 37.2 1.0
O A:HOH686 4.5 40.2 1.0
CG2 A:THR198 4.5 42.0 0.5
CG2 A:THR198 4.5 38.0 0.5
N A:GLN202 4.5 36.5 1.0
N A:GLY197 4.6 37.9 1.0
OG1 A:THR201 4.7 36.3 1.0
OG1 A:THR198 4.7 42.3 0.5
O A:LYS196 4.8 34.6 1.0
CA A:THR198 4.8 36.2 0.5
CA A:THR198 4.8 36.2 0.5
O A:GLN202 5.0 42.8 1.0
CB A:THR198 5.0 38.8 0.5
CB A:THR198 5.0 38.8 0.5

Chlorine binding site 3 out of 8 in 5vkw

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Chlorine binding site 3 out of 8 in the Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans


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 Adenylosuccinate Lyase ADE13 From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:44.7
occ:1.00
 O A:HOH762 3.0 46.1 1.0
NE A:ARG300 3.4 54.5 1.0
CG A:ARG300 3.9 29.0 1.0
CB A:ARG300 3.9 23.3 1.0
CD A:ARG300 4.1 40.5 1.0
OH A:TYR15 4.3 56.8 1.0
CZ A:ARG300 4.4 60.8 1.0
NH2 A:ARG300 4.4 64.4 1.0
CA A:ARG300 4.5 20.6 1.0
O A:HOH1048 4.8 58.1 1.0
CE1 A:TYR15 5.0 53.3 1.0

Chlorine binding site 4 out of 8 in 5vkw

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Chlorine binding site 4 out of 8 in the Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans


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 Adenylosuccinate Lyase ADE13 From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:22.1
occ:1.00
 N B:GLY197 3.1 20.9 1.0
NH1 B:ARG193 3.3 24.4 1.0
N B:THR108 3.3 27.0 1.0
N B:LYS196 3.4 21.7 1.0
CG2 B:THR108 3.4 23.0 1.0
CB B:PHE111 3.7 16.8 1.0
NH2 B:ARG193 3.7 24.4 1.0
CA B:GLY197 3.8 22.9 1.0
CE2 B:PHE205 3.8 28.3 1.0
CA B:ALA107 3.9 21.8 1.0
CA B:VAL195 4.0 21.2 1.0
CZ B:ARG193 4.0 23.3 1.0
C B:ALA107 4.1 25.8 1.0
C B:LYS196 4.1 22.3 1.0
C B:VAL195 4.1 22.1 1.0
CB B:ALA107 4.2 21.2 1.0
CB B:THR108 4.2 28.4 1.0
CA B:THR108 4.3 25.4 1.0
CA B:LYS196 4.3 22.4 1.0
CZ B:PHE205 4.3 26.5 1.0
O B:THR108 4.3 22.8 1.0
CA B:PHE111 4.4 19.8 1.0
CB B:VAL195 4.4 24.0 1.0
N B:PHE111 4.5 18.2 1.0
CG B:PHE111 4.5 21.4 1.0
CG1 B:VAL195 4.6 25.7 1.0
C B:GLY197 4.6 23.8 1.0
CD1 B:PHE111 4.6 17.4 1.0
O B:GLY197 4.7 23.7 1.0
O B:GLY194 4.7 20.2 1.0
C B:THR108 4.7 26.8 1.0
O B:GLY106 4.9 26.2 1.0
CD2 B:PHE205 5.0 26.2 1.0
CB B:LYS196 5.0 21.3 1.0

Chlorine binding site 5 out of 8 in 5vkw

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Chlorine binding site 5 out of 8 in the Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans


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 Adenylosuccinate Lyase ADE13 From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:27.9
occ:1.00
 O B:HOH800 3.1 22.1 1.0
O B:HOH932 3.1 60.9 1.0
OE1 A:GLN161 3.2 61.2 1.0
N B:SER204 3.2 23.2 1.0
N B:THR198 3.4 22.9 1.0
O B:HOH945 3.4 43.2 1.0
CA B:GLY197 3.5 22.9 1.0
N B:ALA203 3.6 23.7 1.0
CB B:SER204 3.6 31.5 1.0
CB B:ALA203 3.8 20.2 1.0
C B:GLY197 4.0 23.8 1.0
CA B:ALA203 4.0 21.8 1.0
CA B:SER204 4.1 24.9 1.0
C B:ALA203 4.1 23.0 1.0
O A:HOH1073 4.1 37.4 0.5
CD A:GLN161 4.2 52.5 1.0
OG1 B:THR198 4.2 36.6 1.0
C B:GLN202 4.3 20.6 1.0
OG1 B:THR201 4.5 22.4 1.0
N B:GLN202 4.6 18.5 1.0
CA B:GLN202 4.6 19.5 1.0
CB B:THR198 4.6 29.1 1.0
CA B:THR198 4.6 24.8 1.0
N B:GLY197 4.7 20.9 1.0
O B:LYS196 4.8 19.2 1.0
NE2 A:GLN161 4.8 52.4 1.0
OG B:SER204 4.8 43.4 1.0
O B:HOH1019 4.9 33.5 0.5
O A:HOH959 4.9 66.0 1.0

Chlorine binding site 6 out of 8 in 5vkw

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Chlorine binding site 6 out of 8 in the Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans


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 Adenylosuccinate Lyase ADE13 From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:68.4
occ:1.00
 O B:HOH1111 2.6 62.7 1.0
N B:ASP68 2.9 32.8 1.0
CA B:THR67 3.4 31.3 1.0
OD1 B:ASP68 3.4 35.9 1.0
O B:HOH878 3.4 38.0 1.0
CB B:THR67 3.5 36.4 1.0
CG B:ASP68 3.6 41.2 1.0
C B:THR67 3.7 32.8 1.0
CB B:ASP68 3.8 39.5 1.0
CA B:ASP68 3.9 35.3 0.8
NH1 B:ARG27 3.9 32.8 1.0
CG2 B:THR67 4.2 35.9 1.0
OD2 B:ASP68 4.3 43.1 1.0
CZ B:ARG27 4.7 34.6 1.0
N B:THR67 4.8 28.2 1.0
OG1 B:THR67 4.8 37.4 1.0
NH2 B:ARG27 4.8 31.8 1.0
O B:THR67 4.9 31.1 1.0
O B:ILE66 4.9 27.7 1.0

Chlorine binding site 7 out of 8 in 5vkw

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Chlorine binding site 7 out of 8 in the Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans


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 Adenylosuccinate Lyase ADE13 From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:47.0
occ:1.00
 NE B:ARG300 3.2 55.4 1.0
O B:HOH754 3.2 46.4 1.0
NH1 B:ARG300 3.8 65.2 1.0
CB B:ARG300 3.9 29.2 1.0
CG B:ARG300 3.9 34.0 1.0
CZ B:ARG300 3.9 63.1 1.0
OH B:TYR15 4.1 83.6 1.0
CD B:ARG300 4.1 43.0 1.0
CA B:ARG300 4.5 28.8 1.0
CE2 B:TYR15 4.7 86.3 1.0
CZ B:TYR15 4.8 82.7 1.0
O B:HOH1057 5.0 52.2 1.0

Chlorine binding site 8 out of 8 in 5vkw

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Chlorine binding site 8 out of 8 in the Crystal Structure of Adenylosuccinate Lyase ADE13 From Candida Albicans


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 Adenylosuccinate Lyase ADE13 From Candida Albicans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:54.5
occ:1.00
 O B:HOH774 3.1 26.3 1.0
O A:HOH1095 3.2 52.9 1.0
CA B:SER207 4.0 25.0 0.9
CG B:LEU206 4.0 26.5 1.0
CD2 B:LEU206 4.1 27.0 1.0
N B:SER207 4.1 21.6 1.0
C B:LEU206 4.2 22.1 1.0
O B:LEU206 4.2 23.2 1.0
CB B:SER207 4.4 26.9 1.0
CA B:GLY211 4.4 24.8 1.0
N B:GLY211 4.4 26.2 1.0
CB B:LEU206 4.6 23.5 1.0
O A:HOH758 4.8 27.0 1.0
OG B:SER207 4.8 34.4 1.0

Reference:

P.J.Stogios, P.J.Stogios, E.Evdokimova, R.Di Leo, A.Savchenko, W.F.Anderson, Center Forstructural Genomics Of Infectious Diseases (Csgid). N/A N/A.
Page generated: Sat Dec 12 12:34:29 2020

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