Magnesium in PDB 4v2i: Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp

Enzymatic activity of Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp

All present enzymatic activity of Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp:
3.1.1.1;

Protein crystallography data

The structure of Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp, PDB code: 4v2i was solved by C.D.Santi, H.-K.S.Leiros, A.D.Scala, D.D.Pascale, B.Altermark, N.-P.Willassen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.87 / 1.69
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.326, 85.429, 91.747, 90.00, 90.00, 90.00
R / Rfree (%) 14.3 / 18.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp (pdb code 4v2i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp, PDB code: 4v2i:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4v2i

Go back to Magnesium Binding Sites List in 4v2i
Magnesium binding site 1 out of 3 in the Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1317

b:17.0
occ:1.00
 H A:ALA252 2.2 9.5 1.0
HA A:ARG258 2.6 10.0 1.0
HB A:THR251 2.7 9.5 1.0
HB3 A:TYR186 2.8 9.9 1.0
OD2 A:ASP255 2.8 10.0 1.0
HA A:THR251 2.9 9.5 1.0
N A:ALA252 3.0 7.9 1.0
O A:HOH2329 3.1 9.3 1.0
HG23 A:THR251 3.2 11.6 1.0
HB2 A:TYR186 3.2 9.9 1.0
HA A:TYR186 3.3 9.9 1.0
CB A:THR251 3.3 8.0 1.0
CB A:TYR186 3.4 8.3 1.0
CA A:THR251 3.4 7.9 1.0
CA A:ARG258 3.5 8.3 1.0
HB3 A:ASP255 3.6 11.8 1.0
HB1 A:ALA252 3.7 9.8 1.0
CG A:ASP255 3.7 9.4 1.0
CG2 A:THR251 3.7 9.7 1.0
HB2 A:ARG258 3.8 10.0 1.0
C A:THR251 3.8 7.9 1.0
N A:ARG258 3.8 8.6 1.0
CA A:TYR186 3.9 8.2 1.0
O A:ALA252 3.9 8.1 1.0
HD1 A:HIS285 3.9 11.4 1.0
C A:LEU257 4.0 8.6 1.0
CA A:ALA252 4.1 8.0 1.0
HG3 A:ARG258 4.1 10.6 1.0
CB A:ASP255 4.1 9.8 1.0
HB2 A:LEU257 4.1 13.6 1.0
CB A:ARG258 4.1 8.3 1.0
O A:LEU257 4.1 8.5 1.0
HG22 A:THR251 4.1 11.6 1.0
H A:ARG258 4.1 10.3 1.0
CB A:ALA252 4.3 8.1 1.0
HB2 A:ASP255 4.3 11.8 1.0
C A:ALA252 4.4 8.0 1.0
HB3 A:ALA252 4.5 9.8 1.0
HG21 A:THR251 4.5 11.6 1.0
C A:ARG258 4.6 8.4 1.0
OD1 A:ASP255 4.6 10.5 1.0
CG A:ARG258 4.6 8.9 1.0
OG1 A:THR251 4.6 8.7 1.0
C A:TYR186 4.7 8.4 1.0
O A:ARG258 4.7 8.2 1.0
CG A:TYR186 4.7 8.4 1.0
ND1 A:HIS285 4.7 9.5 1.0
O A:ILE250 4.7 7.9 1.0
HG1 A:THR251 4.7 10.5 1.0
CB A:LEU257 4.8 11.4 1.0
HB3 A:LEU257 4.8 13.6 1.0
N A:THR251 4.8 9.6 1.0
HD2 A:TYR186 4.8 10.0 1.0
HD2 A:PRO187 4.8 9.9 1.0
HA A:ALA252 4.9 9.5 1.0
HA3 A:GLY261 4.9 11.8 1.0
CA A:LEU257 4.9 8.9 1.0
HE1 A:HIS285 4.9 14.2 1.0
H A:TYR186 5.0 9.8 1.0
HB3 A:ARG258 5.0 10.0 1.0
O A:THR251 5.0 7.8 1.0

Magnesium binding site 2 out of 3 in 4v2i

Go back to Magnesium Binding Sites List in 4v2i
Magnesium binding site 2 out of 3 in the Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1317

b:17.7
occ:1.00
 O B:HOH2412 2.7 8.8 1.0
O B:HOH2413 2.7 16.9 1.0
O B:VAL275 2.7 11.1 1.0
O A:HOH2444 2.8 8.7 1.0
HG2 A:PRO297 3.1 14.2 1.0
HB B:VAL275 3.1 9.8 1.0
HB2 A:GLU5 3.2 10.7 1.0
HG3 A:GLU5 3.2 12.3 1.0
HG B:SER269 3.2 16.2 1.0
HG2 A:GLU5 3.3 12.3 1.0
H B:VAL275 3.5 10.1 0.4
CG A:GLU5 3.6 10.3 1.0
HB2 B:SER269 3.6 16.6 1.0
OG B:SER269 3.7 13.5 1.0
HG13 B:VAL277 3.7 11.6 1.0
C B:VAL275 3.7 8.0 1.0
HG3 A:PRO297 3.8 14.2 1.0
CB A:GLU5 3.8 8.9 1.0
CG A:PRO297 3.8 11.8 1.0
CB B:VAL275 3.9 8.2 1.0
HA A:GLU5 4.1 11.0 1.0
CA B:VAL275 4.2 8.2 1.0
CB B:SER269 4.2 13.8 1.0
N B:VAL275 4.2 8.4 1.0
HG13 B:VAL275 4.3 11.9 1.0
HA3 A:GLY282 4.3 10.0 1.0
O A:HOH2455 4.4 8.5 1.0
HB2 A:PRO297 4.4 11.2 1.0
HG12 B:VAL277 4.4 11.6 1.0
CG1 B:VAL277 4.5 9.6 1.0
CA A:GLU5 4.6 9.2 1.0
HB3 A:GLU5 4.6 10.7 1.0
HD2 A:PRO297 4.7 10.6 1.0
CG1 B:VAL275 4.7 9.9 1.0
O A:HOH2443 4.7 8.3 1.0
HG22 B:VAL275 4.7 10.0 1.0
CB A:PRO297 4.7 9.3 1.0
HB3 B:SER269 4.7 16.6 1.0
O A:HOH2020 4.8 14.6 1.0
O A:ASN281 4.8 7.9 1.0
HA B:THR276 4.8 9.3 1.0
HD3 A:PRO6 4.8 11.6 1.0
HG11 B:VAL277 4.9 11.6 1.0
CD A:PRO297 4.9 8.8 1.0
N B:THR276 4.9 7.9 1.0
CG2 B:VAL275 5.0 8.3 1.0
HG11 B:VAL275 5.0 11.9 1.0

Magnesium binding site 3 out of 3 in 4v2i

Go back to Magnesium Binding Sites List in 4v2i
Magnesium binding site 3 out of 3 in the Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Biochemical Characterization and Structural Analysis of A New Cold- Active and Salt Tolerant Esterase From the Marine Bacterium Thalassospira Sp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1318

b:17.9
occ:1.00
 H B:ALA252 2.2 10.0 1.0
HA B:ARG258 2.6 9.5 1.0
HB B:THR251 2.6 10.6 1.0
HB3 B:TYR186 2.8 9.3 1.0
OD2 B:ASP255 2.8 10.2 1.0
HA B:THR251 2.9 9.1 1.0
N B:ALA252 3.0 8.3 1.0
HG23 B:THR251 3.1 9.3 1.0
O B:HOH2323 3.2 8.2 1.0
CB B:THR251 3.3 8.8 1.0
HB2 B:TYR186 3.3 9.3 1.0
HA B:TYR186 3.3 10.8 1.0
CA B:THR251 3.4 7.6 1.0
CA B:ARG258 3.4 7.9 1.0
CB B:TYR186 3.4 7.8 1.0
HB3 B:ASP255 3.5 10.7 1.0
HB1 B:ALA252 3.6 11.8 1.0
HB2 B:ARG258 3.6 9.5 1.0
CG B:ASP255 3.6 12.2 1.0
CG2 B:THR251 3.7 7.8 1.0
N B:ARG258 3.7 9.3 1.0
C B:THR251 3.7 7.6 1.0
O B:ALA252 3.8 8.0 1.0
CA B:TYR186 3.9 9.0 1.0
HD1 B:HIS285 3.9 9.5 1.0
C B:LEU257 4.0 8.1 1.0
CA B:ALA252 4.0 7.8 1.0
CB B:ARG258 4.0 8.0 1.0
HG22 B:THR251 4.0 9.3 1.0
H B:ARG258 4.1 11.2 1.0
CB B:ASP255 4.1 8.9 1.0
HG3 B:ARG258 4.1 9.6 1.0
HB2 B:LEU257 4.1 11.3 1.0
O B:LEU257 4.1 8.0 1.0
CB B:ALA252 4.2 9.8 1.0
HB2 B:ASP255 4.3 10.7 1.0
HB3 B:ALA252 4.4 11.8 1.0
C B:ALA252 4.4 8.1 1.0
HG21 B:THR251 4.5 9.3 1.0
OD1 B:ASP255 4.5 10.2 1.0
C B:ARG258 4.6 10.0 1.0
OG1 B:THR251 4.6 8.9 1.0
CG B:ARG258 4.6 8.0 1.0
O B:ARG258 4.7 7.9 1.0
C B:TYR186 4.7 7.8 1.0
HG1 B:THR251 4.7 10.7 1.0
ND1 B:HIS285 4.7 7.9 1.0
CG B:TYR186 4.7 8.3 1.0
CB B:LEU257 4.7 9.4 1.0
HB3 B:LEU257 4.8 11.3 1.0
N B:THR251 4.8 10.0 1.0
O B:ILE250 4.8 10.5 1.0
HD2 B:TYR186 4.8 8.9 1.0
HA B:ALA252 4.8 9.3 1.0
HB3 B:ARG258 4.9 9.5 1.0
HA3 B:GLY261 4.9 9.4 1.0
CA B:LEU257 4.9 8.3 1.0
HD2 B:PRO187 4.9 9.0 1.0
H B:TYR186 4.9 8.8 1.0
HE1 B:HIS285 4.9 13.9 1.0
O B:THR251 5.0 9.4 1.0

Reference:

C.De Santi, H.S.Leiros, A.Di Scala, D.De Pascale, B.Altermark, N.Willassen. Biochemical Characterization and Structural Analysis of A New Cold-Active and Salt-Tolerant Esterase From the Marine Bacterium Thalassospira Sp. Extremophiles V. 20 323 2016.
ISSN: ISSN 1431-0651
PubMed: 27016194
DOI: 10.1007/S00792-016-0824-Z
Page generated: Mon Dec 14 19:39:34 2020

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