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Mercury in PDB 2xvb: Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K.

Enzymatic activity of Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K.

All present enzymatic activity of Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K.:
1.10.3.2;

Protein crystallography data

The structure of Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K., PDB code: 2xvb was solved by H.Serrano-Posada, B.Valderrama, E.Rudino-Pinera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.689 / 1.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 93.456, 110.183, 96.343, 90.00, 90.00, 90.00
R / Rfree (%) 15.28 / 17.78

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K. (pdb code 2xvb). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 5 binding sites of Mercury where determined in the Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K., PDB code: 2xvb:
Jump to Mercury binding site number: 1; 2; 3; 4; 5;

Mercury binding site 1 out of 5 in 2xvb

Go back to Mercury Binding Sites List in 2xvb
Mercury binding site 1 out of 5 in the Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1463

b:28.4
occ:0.19
ND1 A:HIS393 2.0 19.4 1.0
SG A:CYS445 2.1 13.2 1.0
ND1 A:HIS450 2.2 15.6 1.0
CE1 A:HIS393 2.8 19.8 1.0
CG A:HIS450 3.1 11.2 1.0
CG A:HIS393 3.1 16.2 1.0
CB A:CYS445 3.2 15.0 1.0
CB A:HIS450 3.2 7.5 1.0
SD A:MET455 3.3 11.2 0.3
CE1 A:HIS450 3.3 16.3 1.0
CB A:HIS393 3.6 16.8 1.0
SD A:MET455 3.8 14.8 0.7
NE2 A:HIS393 4.0 20.4 1.0
CA A:HIS393 4.0 13.1 1.0
CD2 A:HIS393 4.2 14.4 1.0
CB A:ILE447 4.2 8.5 1.0
CE A:MET455 4.3 12.8 0.3
CE A:MET455 4.3 13.0 0.7
CD2 A:HIS450 4.3 14.4 1.0
NE2 A:HIS450 4.4 12.6 1.0
CD1 A:ILE447 4.4 16.9 1.0
O A:ASP392 4.6 11.2 1.0
CA A:CYS445 4.6 12.1 1.0
CE A:MET391 4.6 10.6 0.5
O A:ILE447 4.6 11.4 1.0
CG1 A:ILE447 4.7 10.5 1.0
CA A:HIS450 4.8 8.9 1.0
CD A:PRO394 4.8 10.3 1.0
N A:ILE447 4.8 9.3 1.0
CG A:MET455 4.9 14.2 0.3
C A:HIS393 5.0 12.5 1.0
CG2 A:ILE447 5.0 11.3 1.0

Mercury binding site 2 out of 5 in 2xvb

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Mercury binding site 2 out of 5 in the Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1464

b:36.2
occ:0.23
ND1 A:HIS97 1.9 11.1 1.0
NE2 A:HIS135 2.0 8.2 0.9
NE2 A:HIS446 2.2 19.3 1.0
CE1 A:HIS97 2.5 12.8 1.0
NE2 A:HIS135 2.5 10.8 0.1
O A:HOH2434 2.5 24.1 1.0
CE1 A:HIS135 2.7 9.7 0.9
CE1 A:HIS446 3.0 14.9 1.0
CG A:HIS97 3.1 10.0 1.0
CD2 A:HIS135 3.1 10.2 0.1
CD2 A:HIS135 3.2 10.1 0.9
CD2 A:HIS446 3.3 16.1 1.0
CE1 A:HIS135 3.5 11.7 0.1
O A:HOH2152 3.5 40.4 1.0
CZ2 A:TRP133 3.6 9.4 1.0
NE2 A:HIS97 3.7 9.7 1.0
CB A:HIS97 3.7 7.3 1.0
HG A:HG1465 3.8 32.8 0.2
CD2 A:HIS95 3.8 13.3 1.0
ND1 A:HIS135 3.9 10.9 0.9
CD2 A:HIS97 4.0 9.1 1.0
CE2 A:TRP133 4.0 8.8 1.0
ND1 A:HIS446 4.1 13.6 1.0
CG A:HIS135 4.1 9.1 0.9
NE1 A:TRP133 4.2 9.0 1.0
CG A:HIS135 4.2 10.6 0.1
CH2 A:TRP133 4.3 10.8 1.0
CG A:HIS446 4.3 13.9 1.0
ND1 A:HIS135 4.3 11.3 0.1
CD2 A:HIS396 4.5 13.7 1.0
NE2 A:HIS396 4.5 14.3 1.0
NE2 A:HIS95 4.5 13.7 1.0
O A:HOH2156 4.6 24.5 1.0
CG A:HIS95 5.0 10.2 1.0
CA A:HIS97 5.0 9.7 1.0

Mercury binding site 3 out of 5 in 2xvb

Go back to Mercury Binding Sites List in 2xvb
Mercury binding site 3 out of 5 in the Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1465

b:32.8
occ:0.17
NE2 A:HIS396 1.6 14.3 1.0
NE2 A:HIS95 1.7 13.7 1.0
CD2 A:HIS95 2.4 13.3 1.0
CD2 A:HIS396 2.5 13.7 1.0
CE1 A:HIS396 2.8 11.1 1.0
CE1 A:HIS95 2.9 11.0 1.0
CD2 A:HIS398 3.2 10.1 1.0
NE2 A:HIS398 3.3 9.3 1.0
O A:HOH2434 3.3 24.1 1.0
ND1 A:HIS97 3.4 11.1 1.0
CG A:HIS97 3.5 10.0 1.0
O A:HOH2102 3.6 11.2 1.0
CE1 A:HIS97 3.6 12.8 1.0
CG A:HIS396 3.7 9.3 1.0
CG A:HIS95 3.7 10.2 1.0
ND1 A:HIS396 3.7 10.8 1.0
ND1 A:HIS95 3.8 11.9 1.0
CD2 A:HIS97 3.8 9.1 1.0
CG A:HIS398 3.8 8.4 1.0
HG A:HG1464 3.8 36.2 0.2
NE2 A:HIS97 3.9 9.7 1.0
CE1 A:HIS398 4.0 9.5 1.0
CA A:HIS97 4.0 9.7 1.0
CB A:HIS97 4.0 7.3 1.0
HG A:HG1466 4.2 50.0 0.1
ND1 A:HIS398 4.3 7.9 1.0
N A:GLY98 4.5 10.2 1.0
CA A:HIS398 4.5 6.3 1.0
NE2 A:HIS444 4.7 11.9 1.0
CB A:HIS398 4.7 9.1 1.0
C A:HIS97 4.8 11.8 1.0
N A:HIS398 4.9 5.3 1.0
NE2 A:HIS446 4.9 19.3 1.0
NE2 A:HIS135 5.0 8.2 0.9

Mercury binding site 4 out of 5 in 2xvb

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Mercury binding site 4 out of 5 in the Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1466

b:50.0
occ:0.15
NE2 A:HIS444 2.0 11.9 1.0
NE2 A:HIS398 2.2 9.3 1.0
ND1 A:HIS137 2.2 17.0 1.0
CE1 A:HIS137 2.5 14.5 1.0
O A:HOH2434 2.6 24.1 1.0
CE1 A:HIS398 2.8 9.5 1.0
CE1 A:HIS444 2.9 14.5 1.0
CD2 A:HIS444 3.0 10.0 1.0
O A:HOH2156 3.1 24.5 1.0
CG A:HIS137 3.3 15.7 1.0
CD2 A:HIS398 3.4 10.1 1.0
NE2 A:HIS137 3.6 21.7 1.0
ND1 A:HIS444 3.9 12.1 1.0
CD2 A:HIS137 3.9 20.2 1.0
CG A:HIS444 4.0 11.4 1.0
CD2 A:HIS95 4.0 13.3 1.0
ND1 A:HIS398 4.0 7.9 1.0
CB A:HIS137 4.1 14.1 1.0
HG A:HG1465 4.2 32.8 0.2
CD2 A:HIS396 4.3 13.7 1.0
CG A:HIS398 4.4 8.4 1.0
NE2 A:HIS95 4.4 13.7 1.0
O A:HOH2435 4.4 31.0 1.0
CG2 A:VAL442 4.5 10.0 1.0
CG A:HIS95 4.6 10.2 1.0
NE2 A:HIS396 4.8 14.3 1.0
NE2 A:HIS135 4.9 10.8 0.1

Mercury binding site 5 out of 5 in 2xvb

Go back to Mercury Binding Sites List in 2xvb
Mercury binding site 5 out of 5 in the Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 5 Min. in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1467

b:83.4
occ:0.10
NE2 A:HIS303 1.2 64.2 1.0
SD A:MET296 1.4 90.4 1.0
CD2 A:HIS303 2.0 80.6 1.0
CE1 A:HIS303 2.3 66.5 1.0
SD A:MET301 2.4 0.6 1.0
CE A:MET301 2.8 82.5 1.0
CG A:MET296 2.9 58.0 1.0
CG A:HIS303 3.1 85.7 1.0
ND1 A:HIS303 3.2 85.1 1.0
SD A:MET305 3.3 44.5 1.0
CG A:MET305 3.6 43.6 1.0
CE A:MET296 3.9 56.0 1.0
CB A:MET296 3.9 34.7 1.0
CG A:MET301 4.2 90.9 1.0
CE A:MET305 4.2 31.7 1.0
CB A:HIS303 4.5 83.2 1.0
O A:HIS303 4.6 44.2 1.0
CB A:MET298 4.8 48.5 1.0
C A:MET296 4.8 46.1 1.0
CA A:MET296 4.9 38.8 1.0
O A:MET296 4.9 44.1 1.0
C A:HIS303 4.9 60.4 1.0
CA A:HIS303 5.0 74.8 1.0

Reference:

H.Serrano-Posada, S.Centeno-Leija, S.P.Rojas-Trejo, C.Rodriguez-Almazan, V.Stojanoff, E.Rudino-Pinera. X-Ray-Induced Catalytic Active-Site Reduction of A Multicopper Oxidase: Structural Insights Into the Proton- Relay Mechanism and O2-Reduction States. Acta Crystallogr.,Sect.D V. 71 2396 2015.
ISSN: ISSN 0907-4449
PubMed: 26627648
DOI: 10.1107/S1399004715018714
Page generated: Sun Dec 13 19:08:39 2020

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