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Chlorine in PDB 4wdr: Crystal Structure of Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26

Enzymatic activity of Crystal Structure of Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26

All present enzymatic activity of Crystal Structure of Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26:
3.8.1.5;

Protein crystallography data

The structure of Crystal Structure of Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26, PDB code: 4wdr was solved by O.Degtjarik, P.Rezacova, I.Iermak, R.Chaloupkova, J.Damborsky, I.Kuta-Smatanova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.58 / 2.50
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 125.937, 125.937, 213.818, 90.00, 90.00, 120.00
R / Rfree (%) 16.5 / 19.6

Other elements in 4wdr:

The structure of Crystal Structure of Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26 also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26 (pdb code 4wdr). 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 Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26, PDB code: 4wdr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4wdr

Go back to Chlorine Binding Sites List in 4wdr
Chlorine binding site 1 out of 2 in the Crystal Structure of Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26


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 Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:51.3
occ:1.00
 NE1 A:TRP109 3.3 34.8 1.0
ND2 A:ASN38 3.3 44.8 1.0
N A:PRO208 3.6 33.7 1.0
CZ A:PHE169 3.7 45.1 1.0
CA A:PRO208 3.7 33.7 1.0
CD A:PRO208 3.8 33.2 1.0
CD1 A:TRP109 3.8 36.6 1.0
CB A:TRP207 3.9 35.7 1.0
C A:TRP207 3.9 34.7 1.0
CB A:ASN38 4.0 37.8 1.0
CB A:PRO208 4.0 34.8 1.0
CG A:ASN38 4.1 39.6 1.0
CE2 A:PHE169 4.2 45.0 1.0
O A:TRP207 4.3 32.8 1.0
CD1 A:LEU211 4.3 49.3 1.0
CG A:PRO208 4.3 34.8 1.0
CE2 A:PHE151 4.4 53.5 1.0
CG A:LEU211 4.5 44.9 1.0
CE2 A:TRP109 4.6 33.9 1.0
CA A:TRP207 4.6 34.3 1.0
OD1 A:ASP108 4.7 62.2 1.0
CE1 A:PHE169 4.7 44.8 1.0
CD2 A:LEU211 4.7 47.2 1.0
OD2 A:ASP108 4.8 43.6 1.0
CG A:TRP207 5.0 36.3 1.0

Chlorine binding site 2 out of 2 in 4wdr

Go back to Chlorine Binding Sites List in 4wdr
Chlorine binding site 2 out of 2 in the Crystal Structure of Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26


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 Haloalkane Dehalogenase Linb 140A+143L+177W+211L Mutant (LINB86) From Sphingobium Japonicum UT26 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:76.1
occ:1.00
 CD1 B:TRP177 4.2 66.5 1.0
CG B:TRP177 4.2 63.1 1.0
NE1 B:TRP177 4.3 65.6 1.0
CZ B:PHE151 4.3 58.9 1.0
CD2 B:TRP177 4.4 63.5 1.0
CE2 B:TRP177 4.4 63.9 1.0
CG B:HIS272 4.4 54.6 1.0
CD2 B:HIS272 4.5 54.8 1.0
CG1 B:VAL173 4.5 62.9 1.0
CB B:HIS272 4.6 55.2 1.0
CE1 B:PHE151 4.6 55.7 1.0
CG B:PRO144 4.7 50.9 1.0
CD B:PRO144 4.9 48.5 1.0
CB B:TRP177 4.9 64.5 1.0
ND1 B:HIS272 5.0 55.1 1.0

Reference:

O.Degtjarik, P.Rezacova, R.Chaloupkova, J.Damborsky, I.Kuta-Smatanova. Crystal Structure of Haloalkane Dehalogenase Linb Mutant (L177W) From Sphingobium Japonicum UT26 Acs Catalysis 2016.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.6B02081
Page generated: Fri Jul 26 02:51:33 2024

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