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Chlorine in PDB 4mgg: Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121

Protein crystallography data

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121, PDB code: 4mgg was solved by M.W.Vetting, X.Zhang, S.R.Wasserman, L.L.Morisco, S.Sojitra, J.B.Bonanno, J.A.Gerlt, S.C.Almo, New York Structural Genomics Research Consortium(Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.81 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 110.313, 154.897, 181.983, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 21.6

Other elements in 4mgg:

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 also contains other interesting chemical elements:

Nickel (Ni) 3 atoms
Magnesium (Mg) 17 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 (pdb code 4mgg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121, PDB code: 4mgg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4mgg

Go back to Chlorine Binding Sites List in 4mgg
Chlorine binding site 1 out of 3 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121


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 An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:27.6
occ:1.00
H A:LYS45 2.5 17.2 1.0
HA A:LEU44 3.1 16.9 1.0
HD3 A:LYS115 3.1 20.3 1.0
HZ3 A:LYS115 3.3 14.8 1.0
N A:LYS45 3.3 14.3 1.0
HZ3 A:LYS45 3.4 55.3 1.0
HB2 A:LYS45 3.5 22.4 1.0
HD22 A:LEU44 3.5 34.9 1.0
HD23 A:LEU44 3.6 34.9 1.0
HE2 A:LYS115 3.6 12.2 1.0
O A:LYS45 3.7 15.4 1.0
HE2 A:LYS45 3.7 47.3 1.0
CA A:LEU44 3.9 14.1 1.0
CD A:LYS115 3.9 16.9 1.0
CD2 A:LEU44 4.0 29.1 1.0
HB3 A:LEU44 4.0 16.4 1.0
CE A:LYS115 4.0 10.2 1.0
NZ A:LYS45 4.0 46.1 1.0
HZ1 A:LYS45 4.0 55.3 1.0
NZ A:LYS115 4.0 12.3 1.0
C A:LEU44 4.1 19.4 1.0
CA A:LYS45 4.2 16.4 1.0
CB A:LYS45 4.3 18.6 1.0
CE A:LYS45 4.3 39.4 1.0
C A:LYS45 4.4 14.6 1.0
CB A:LEU44 4.4 13.6 1.0
HZ1 A:LYS115 4.5 14.8 1.0
HD3 A:LYS45 4.5 29.2 1.0
HD2 A:LYS115 4.5 20.3 1.0
HE2 A:TYR47 4.5 15.7 1.0
O A:GLY43 4.6 15.2 1.0
HG2 A:LYS115 4.6 22.6 1.0
HZ2 A:LYS115 4.7 14.8 1.0
O A:HOH567 4.7 16.2 1.0
HD21 A:LEU44 4.7 34.9 1.0
HZ2 A:LYS45 4.8 55.3 1.0
CG A:LYS115 4.8 18.8 1.0
CG A:LEU44 4.8 26.1 1.0
CD A:LYS45 4.9 24.4 1.0
HB3 A:LYS45 4.9 22.4 1.0
HB3 A:LYS115 4.9 16.1 1.0
HE3 A:LYS115 4.9 12.2 1.0

Chlorine binding site 2 out of 3 in 4mgg

Go back to Chlorine Binding Sites List in 4mgg
Chlorine binding site 2 out of 3 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121


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 An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:52.2
occ:1.00
HA B:ALA143 2.9 37.8 1.0
HH21 B:ARG176 3.1 21.9 1.0
O B:HOH689 3.3 42.1 1.0
HD3 B:PRO144 3.6 28.8 1.0
NH2 B:ARG176 3.6 18.2 1.0
HB2 B:ALA143 3.6 22.7 1.0
CA B:ALA143 3.7 31.5 1.0
HH22 B:ARG176 3.7 21.9 1.0
N B:ALA143 4.0 27.6 1.0
CB B:ALA143 4.1 18.9 1.0
H B:ALA143 4.2 33.1 1.0
HD2 B:PRO144 4.3 28.8 1.0
HB1 B:ALA143 4.3 22.7 1.0
O B:GLU142 4.3 25.3 1.0
C B:GLU142 4.3 30.7 1.0
CD B:PRO144 4.4 24.0 1.0
OD2 B:ASP172 4.6 31.8 1.0
HE B:ARG176 4.6 29.3 1.0
CG B:ASP172 4.6 27.8 1.0
CZ B:ARG176 4.6 21.3 1.0
OD1 B:ASP172 4.6 28.6 1.0
HB3 B:ASP172 4.7 31.0 1.0
O B:HOH625 4.9 28.5 1.0
C B:ALA143 4.9 23.4 1.0
HB3 B:ALA143 5.0 22.7 1.0
NE B:ARG176 5.0 24.4 1.0

Chlorine binding site 3 out of 3 in 4mgg

Go back to Chlorine Binding Sites List in 4mgg
Chlorine binding site 3 out of 3 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121


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 An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl404

b:55.6
occ:1.00
O G:HOH598 3.5 29.8 1.0
HZ3 G:TRP295 3.8 38.7 1.0
HH G:TYR325 3.8 31.5 1.0
HB2 G:ALA138 4.1 26.1 1.0
CZ G:TYR325 4.1 27.1 1.0
HE1 G:PHE322 4.1 27.1 1.0
CE1 G:TYR325 4.2 23.3 1.0
HH G:TYR136 4.2 28.2 1.0
HB3 G:ALA138 4.3 26.1 1.0
OH G:TYR325 4.3 26.3 1.0
HH2 G:TRP295 4.3 41.6 1.0
HE1 G:TYR325 4.4 28.0 1.0
HE1 G:TYR136 4.4 24.9 1.0
CE2 G:TYR325 4.4 21.6 1.0
CZ3 G:TRP295 4.5 32.3 1.0
H G:ALA138 4.5 24.9 1.0
HG1 G:THR320 4.5 47.2 1.0
OH G:TYR136 4.6 23.5 1.0
CD1 G:TYR325 4.7 22.1 1.0
CB G:ALA138 4.7 21.8 1.0
CE1 G:TYR136 4.7 20.8 1.0
CE1 G:PHE322 4.7 22.6 1.0
HE2 G:TYR325 4.7 25.9 1.0
HB G:THR320 4.7 40.6 1.0
CH2 G:TRP295 4.8 34.7 1.0
CZ G:TYR136 4.8 18.4 1.0
HD1 G:PHE322 4.8 21.8 1.0
CD2 G:TYR325 4.8 25.9 1.0
CG G:TYR325 5.0 25.4 1.0

Reference:

M.W.Vetting, X.Zhang, S.R.Wasserman, L.L.Morisco, S.Sojitra, J.B.Bonanno, J.A.Gerlt, S.C.Almo, New York Structural Genomics Research Consortium (Nysgrc). Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 To Be Published.
Page generated: Sun Jul 21 19:49:58 2024

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