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Chlorine in PDB 3umb: Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362

Enzymatic activity of Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362

All present enzymatic activity of Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362:
3.8.1.2;

Protein crystallography data

The structure of Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362, PDB code: 3umb was solved by P.Petit, P.W.Y.Chan, A.Savchenko, A.F.Yakunin, E.A.Edwards, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.67 / 2.20
Space group C 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 66.380, 129.570, 54.300, 90.00, 90.00, 90.00
R / Rfree (%) 23 / 28.3

Other elements in 3umb:

The structure of Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Potassium (K) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362 (pdb code 3umb). 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 the L-2-Haloacid Dehalogenase RSC1362, PDB code: 3umb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3umb

Go back to Chlorine Binding Sites List in 3umb
Chlorine binding site 1 out of 3 in the Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362


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 the L-2-Haloacid Dehalogenase RSC1362 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl236

b:23.4
occ:0.50
O A:HOH258 2.9 19.3 1.0
O A:PRO56 2.9 19.9 1.0
C A:PRO56 3.8 20.4 1.0
O A:HOH275 3.8 21.2 1.0
CA A:SER57 4.0 22.2 1.0
OG A:SER57 4.1 23.8 1.0
O A:HOH306 4.1 19.5 0.2
N A:SER57 4.2 21.5 1.0
CB A:SER57 4.3 22.4 1.0
K A:K235 4.5 35.5 1.0
CD1 A:LEU153 4.5 15.4 1.0
CB A:PRO56 4.9 19.4 1.0
CA A:PRO56 4.9 19.2 1.0

Chlorine binding site 2 out of 3 in 3umb

Go back to Chlorine Binding Sites List in 3umb
Chlorine binding site 2 out of 3 in the Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362


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 the L-2-Haloacid Dehalogenase RSC1362 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl237

b:40.4
occ:1.00
CG1 A:VAL18 3.8 44.0 1.0
CB A:ARG41 4.0 26.1 1.0
CE1 A:TYR95 4.1 51.4 1.0
O A:SER37 4.2 29.9 1.0
CE3 A:TRP40 4.3 22.9 1.0
OH A:TYR95 4.3 55.6 1.0
CA A:ARG41 4.4 25.3 1.0
N A:ARG41 4.4 24.6 1.0
CD2 A:TRP40 4.5 22.8 1.0
O A:HOH304 4.5 39.0 1.0
CD A:ARG41 4.5 33.1 1.0
CZ A:TYR95 4.6 52.6 1.0
CZ3 A:TRP40 4.7 23.2 1.0
CG A:ARG41 4.7 30.5 1.0
CG A:TRP40 4.8 22.7 1.0
CB A:TRP40 5.0 24.1 1.0

Chlorine binding site 3 out of 3 in 3umb

Go back to Chlorine Binding Sites List in 3umb
Chlorine binding site 3 out of 3 in the Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362


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 the L-2-Haloacid Dehalogenase RSC1362 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl238

b:27.9
occ:1.00
OD2 A:ASP46 3.1 21.3 1.0
CG A:ASP46 3.6 19.1 1.0
CB A:ASP46 3.9 16.5 1.0
CD1 A:ILE50 4.4 6.5 1.0
CZ A:ARG43 4.4 27.9 1.0
NE A:ARG43 4.4 19.8 1.0
NH2 A:ARG43 4.5 29.2 1.0
OD1 A:ASP46 4.5 18.1 1.0
CD A:ARG43 4.6 18.6 1.0
NH1 A:ARG43 4.8 29.9 1.0

Reference:

P.W.Y.Chan, T.K.W.To, P.Petit, C.Tran, M.Waelti, A.Savchenko, A.F.Yakunin, E.A.Edwards, E.F.Pai. Structural Adaptations of L-2-Haloacid Dehalogenases That Enable Hydrolytic Defluorination To Be Published.
Page generated: Sat Dec 12 10:15:17 2020

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