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Mercury in PDB 1xzb: Fusarium Solani Cutinase Mutant with Ser 129 Replaced By Cys Complex with Mercury Acetate

Protein crystallography data

The structure of Fusarium Solani Cutinase Mutant with Ser 129 Replaced By Cys Complex with Mercury Acetate, PDB code: 1xzb was solved by S.Longhi, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 35.120, 67.360, 37.050, 90.00, 93.90, 90.00
R / Rfree (%) 15.5 / n/a

Mercury Binding Sites:

The binding sites of Mercury atom in the Fusarium Solani Cutinase Mutant with Ser 129 Replaced By Cys Complex with Mercury Acetate (pdb code 1xzb). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Fusarium Solani Cutinase Mutant with Ser 129 Replaced By Cys Complex with Mercury Acetate, PDB code: 1xzb:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 1xzb

Go back to Mercury Binding Sites List in 1xzb
Mercury binding site 1 out of 2 in the Fusarium Solani Cutinase Mutant with Ser 129 Replaced By Cys Complex with Mercury Acetate


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Fusarium Solani Cutinase Mutant with Ser 129 Replaced By Cys Complex with Mercury Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg801

b:9.4
occ:0.65
HG A:MAC801 0.0 9.4 0.7
O1 A:MAC801 2.3 17.7 0.7
SG A:CYS129 2.5 14.8 1.0
O2 A:MAC801 2.6 16.7 0.7
C1 A:MAC801 2.8 15.0 0.7
CE2 A:PHE102 3.2 12.7 1.0
CB A:CYS129 3.2 8.1 1.0
SD A:MET98 3.3 11.7 1.0
O A:ALA126 3.4 5.8 1.0
H A:ILE130 3.6 0.0 1.0
CG1 A:ILE130 3.7 7.8 1.0
N A:ILE130 3.7 6.4 1.0
CD2 A:PHE102 3.7 11.3 1.0
CE A:MET98 3.8 9.7 1.0
CZ A:PHE102 3.8 11.9 1.0
CG A:MET98 4.0 10.5 1.0
C A:CYS129 4.0 7.0 1.0
CA A:CYS129 4.1 7.7 1.0
C A:ALA126 4.2 5.9 1.0
CA A:ALA126 4.2 5.2 1.0
CA A:ILE130 4.3 7.9 1.0
C2 A:MAC801 4.3 18.3 0.7
CB A:ILE130 4.6 6.4 1.0
H A:CYS129 4.6 0.0 1.0
CD1 A:ILE130 4.6 10.7 1.0
O A:CYS129 4.7 6.3 1.0
CG A:PHE102 4.7 9.7 1.0
CE1 A:PHE102 4.8 10.7 1.0
N A:CYS129 4.8 5.4 1.0
CD1 A:LEU133 4.9 13.4 1.0
O A:LEU125 4.9 4.2 1.0
CB A:ALA126 4.9 6.6 1.0
CB A:MET98 5.0 8.9 1.0

Mercury binding site 2 out of 2 in 1xzb

Go back to Mercury Binding Sites List in 1xzb
Mercury binding site 2 out of 2 in the Fusarium Solani Cutinase Mutant with Ser 129 Replaced By Cys Complex with Mercury Acetate


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Fusarium Solani Cutinase Mutant with Ser 129 Replaced By Cys Complex with Mercury Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg802

b:16.9
occ:0.26
HG A:MAC802 0.0 16.9 0.3
O2 A:MAC802 2.6 19.0 0.3
O1 A:MAC802 2.6 18.4 0.3
CB A:LEU99 2.7 9.9 1.0
CD1 A:LEU99 2.8 6.1 0.0
O A:CYS129 3.0 6.3 1.0
CG A:LEU99 3.0 7.3 0.0
C1 A:MAC802 3.0 18.5 0.3
SG A:CYS129 3.1 14.8 1.0
CA A:CYS129 3.3 7.7 1.0
C A:CYS129 3.5 7.0 1.0
CB A:CYS129 3.5 8.1 1.0
CA A:LEU99 3.5 10.6 1.0
H A:LEU99 3.9 0.0 1.0
N A:LEU99 4.0 9.8 1.0
CG A:LEU133 4.1 14.5 1.0
CB A:ASP132 4.2 8.9 1.0
N A:LEU133 4.2 11.2 1.0
O A:ILE95 4.2 11.0 1.0
H A:LEU133 4.3 0.0 1.0
CD2 A:LEU133 4.3 13.5 1.0
C A:ASP132 4.5 11.0 1.0
C2 A:MAC802 4.5 20.0 0.3
CA A:LEU133 4.5 12.1 1.0
CG2 A:ILE95 4.5 8.6 1.0
H A:ASP132 4.5 0.0 1.0
CD2 A:LEU99 4.5 6.1 0.0
N A:CYS129 4.6 5.4 1.0
H1 A:HOH554 4.7 0.0 1.0
CB A:LEU133 4.7 12.5 1.0
CA A:ASP132 4.8 9.4 1.0
H1 A:HOH557 4.8 0.0 1.0
N A:ILE130 4.8 6.4 1.0
C A:LEU99 4.9 11.2 1.0
O A:ASP132 4.9 11.8 1.0
H1 A:HOH646 4.9 0.0 1.0
O A:ALA128 5.0 5.9 1.0
C A:MET98 5.0 9.2 1.0

Reference:

S.Longhi, C.Martinez, A.Nicolas, C.Cambillau. Core Accessibility of Fusarium Solani Pisi Cutinase Explored By Means of Hg Derivatives of the S129C Mutant To Be Published.
Page generated: Wed Oct 28 18:40:55 2020

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