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Chlorine in PDB 4dn1: Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate

Protein crystallography data

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate, PDB code: 4dn1 was solved by M.W.Vetting, R.Toro, R.Bhosle, J.T.Bouvier, S.R.Wasserman, L.L.Morisco, S.Sojitra, N.F.Al Obaidi, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Functioninitiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.71 / 2.05
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 102.360, 102.360, 369.620, 90.00, 90.00, 120.00
R / Rfree (%) 16.1 / 19.4

Other elements in 4dn1:

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate (pdb code 4dn1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate, PDB code: 4dn1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4dn1

Go back to Chlorine Binding Sites List in 4dn1
Chlorine binding site 1 out of 2 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate


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 Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:16.4
occ:0.52
CL B:CL402 0.0 16.4 0.5
CL B:CL402 2.0 17.7 0.5
N B:PHE118 3.1 14.8 1.0
N A:PHE118 3.3 16.7 1.0
N B:TYR119 3.4 15.8 1.0
O B:HOH568 3.4 24.1 1.0
CD2 A:PHE118 3.6 19.7 1.0
O B:GLY116 3.6 15.4 1.0
CA A:GLY117 3.7 12.9 1.0
C B:GLY117 3.8 16.9 1.0
CA B:GLY117 3.8 22.1 1.0
CA B:PHE118 3.9 13.7 1.0
CB B:PHE118 4.0 12.1 1.0
C A:GLY117 4.0 19.0 1.0
C B:PHE118 4.1 17.4 1.0
CB A:PHE118 4.1 15.1 1.0
CB B:TYR119 4.1 11.8 1.0
C B:GLY116 4.2 17.5 1.0
O A:HOH526 4.3 25.4 1.0
CG A:PHE118 4.3 15.9 1.0
CA A:PHE118 4.3 15.1 1.0
CA B:TYR119 4.3 13.3 1.0
N B:GLY117 4.4 17.3 1.0
CD1 B:TYR114 4.5 15.5 1.0
CE2 A:PHE118 4.5 19.9 1.0
CD2 B:PHE118 4.6 18.9 1.0
N A:GLY117 4.7 18.4 1.0
O A:GLY116 4.7 17.6 1.0
N A:TYR119 4.7 16.7 1.0
CG B:PHE118 4.8 13.1 1.0
O B:GLY117 4.8 14.7 1.0
CB B:TYR114 4.9 13.4 1.0

Chlorine binding site 2 out of 2 in 4dn1

Go back to Chlorine Binding Sites List in 4dn1
Chlorine binding site 2 out of 2 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate


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 Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:17.7
occ:0.48
CL B:CL402 0.0 17.7 0.5
CL B:CL402 2.0 16.4 0.5
N A:PHE118 3.2 16.7 1.0
N B:PHE118 3.2 14.8 1.0
N A:TYR119 3.3 16.7 1.0
O A:HOH526 3.4 25.4 1.0
CD2 B:PHE118 3.4 18.9 1.0
O A:GLY116 3.6 17.6 1.0
CA B:GLY117 3.7 22.1 1.0
C A:GLY117 3.9 19.0 1.0
CA A:GLY117 3.9 12.9 1.0
CA A:PHE118 3.9 15.1 1.0
C B:GLY117 4.0 16.9 1.0
CB B:PHE118 4.0 12.1 1.0
CB A:TYR119 4.0 11.7 1.0
CB A:PHE118 4.0 15.1 1.0
C A:PHE118 4.1 14.4 1.0
CG B:PHE118 4.2 13.1 1.0
CA B:PHE118 4.2 13.7 1.0
CA A:TYR119 4.3 12.4 1.0
C A:GLY116 4.3 16.3 1.0
CE2 B:PHE118 4.3 17.3 1.0
CD1 A:TYR114 4.4 11.4 1.0
O B:HOH568 4.4 24.1 1.0
N A:GLY117 4.5 18.4 1.0
CD2 A:PHE118 4.7 19.7 1.0
N B:GLY117 4.7 17.3 1.0
N B:TYR119 4.8 15.8 1.0
O B:GLY116 4.8 15.4 1.0
CG A:PHE118 4.9 15.9 1.0
O A:GLY117 4.9 13.0 1.0
CB A:TYR114 5.0 17.1 1.0

Reference:

M.W.Vetting, R.Toro, R.Bhosle, J.T.Bouvier, S.R.Wasserman, L.L.Morisco, S.Sojitra, N.F.Al Obaidi, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Enolase (Mandelate Racemase Subgroup Member) From Agrobacterium Tumefaciens (Target Efi-502088) with Bound Mg and Formate To Be Published.
Page generated: Sat Dec 12 10:32:31 2020

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