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Mercury in PDB 4ai7: Crystal Structure of Laccase From Thermus Thermophilus HB27 Complexed with Hg, Crystal of the Apoenzyme Soaked For 2 H 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 2 H 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 2 H 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 2 H in 5 Mm HGCL2 at 278 K., PDB code: 4ai7 was solved by H.Serrano-Posada, E.Rudino-Pinera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.572 / 1.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 93.276, 110.100, 96.214, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 17.04

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 2 H in 5 Mm HGCL2 at 278 K. (pdb code 4ai7). 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 2 H in 5 Mm HGCL2 at 278 K., PDB code: 4ai7:
Jump to Mercury binding site number: 1; 2; 3; 4; 5;

Mercury binding site 1 out of 5 in 4ai7

Go back to Mercury Binding Sites List in 4ai7
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 2 H 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 2 H in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1463

b:17.7
occ:0.22
ND1 A:HIS393 2.2 20.4 1.0
SG A:CYS445 2.2 13.8 1.0
ND1 A:HIS450 2.3 15.1 1.0
CE1 A:HIS393 2.9 21.9 1.0
CG A:HIS450 3.1 10.0 1.0
CB A:HIS450 3.2 6.7 1.0
CB A:CYS445 3.2 12.9 1.0
CG A:HIS393 3.3 15.9 1.0
CE1 A:HIS450 3.3 15.9 1.0
SD A:MET455 3.6 20.4 1.0
CB A:HIS393 3.8 17.6 1.0
NE2 A:HIS393 4.1 18.6 1.0
CB A:ILE447 4.1 9.7 1.0
CA A:HIS393 4.2 15.8 1.0
CD1 A:ILE447 4.2 17.9 1.0
CD2 A:HIS450 4.3 12.0 1.0
CD2 A:HIS393 4.3 14.9 1.0
CE A:MET391 4.4 4.9 0.4
NE2 A:HIS450 4.4 13.2 1.0
CE A:MET455 4.5 16.8 1.0
CG1 A:ILE447 4.6 9.5 1.0
CA A:CYS445 4.6 11.3 1.0
O A:ASP392 4.6 9.4 1.0
O A:ILE447 4.6 7.8 1.0
CA A:HIS450 4.7 8.6 1.0
N A:ILE447 4.8 10.1 1.0
CD A:PRO394 4.8 6.9 1.0
CG2 A:ILE447 4.9 10.0 1.0
CA A:ILE447 5.0 10.0 1.0

Mercury binding site 2 out of 5 in 4ai7

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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 2 H 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 2 H in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1464

b:13.6
occ:0.18
NE2 A:HIS95 1.7 19.3 1.0
NE2 A:HIS396 2.0 11.9 1.0
CD2 A:HIS95 2.5 12.8 1.0
CD2 A:HIS396 2.7 11.7 1.0
CE1 A:HIS95 2.8 11.4 1.0
CD2 A:HIS398 2.9 8.6 1.0
CE1 A:HIS396 3.1 9.6 1.0
NE2 A:HIS398 3.1 8.7 1.0
O A:HOH2134 3.2 17.4 1.0
O A:HOH2132 3.3 12.2 1.0
ND1 A:HIS97 3.5 9.0 0.3
CG A:HIS398 3.5 6.8 1.0
CG A:HIS97 3.6 9.5 0.3
ND1 A:HIS97 3.6 9.2 0.7
CG A:HIS95 3.7 12.3 1.0
CE1 A:HIS398 3.7 8.7 1.0
ND1 A:HIS95 3.7 15.2 1.0
CG A:HIS97 3.8 8.8 0.7
CE1 A:HIS97 3.8 7.2 0.3
ND1 A:HIS398 4.0 9.6 1.0
CG A:HIS396 4.0 8.0 1.0
CD2 A:HIS97 4.0 8.8 0.3
ND1 A:HIS396 4.1 10.3 1.0
CE1 A:HIS97 4.1 10.1 0.7
HG A:HG1466 4.1 33.6 0.1
NE2 A:HIS97 4.1 12.0 0.3
CA A:HIS97 4.1 9.1 0.3
CB A:HIS97 4.1 6.7 0.7
HG A:HG1465 4.1 14.3 0.2
CA A:HIS97 4.1 9.1 0.7
CB A:HIS97 4.1 7.1 0.3
CD2 A:HIS97 4.2 8.1 0.7
NE2 A:HIS97 4.4 11.5 0.7
CA A:HIS398 4.4 6.4 1.0
CB A:HIS398 4.4 8.9 1.0
N A:GLY98 4.6 10.2 1.0
NE2 A:HIS444 4.7 14.2 1.0
N A:HIS398 4.8 4.6 1.0
C A:HIS97 4.9 9.6 0.3
C A:HIS97 4.9 9.7 0.7

Mercury binding site 3 out of 5 in 4ai7

Go back to Mercury Binding Sites List in 4ai7
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 2 H 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 2 H in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1465

b:14.3
occ:0.23
ND1 A:HIS97 1.4 9.0 0.3
CE1 A:HIS97 2.0 7.2 0.3
ND1 A:HIS97 2.1 9.2 0.7
NE2 A:HIS135 2.1 8.8 1.0
NE2 A:HIS446 2.3 22.0 1.0
O A:HOH2134 2.4 17.4 1.0
CE1 A:HIS97 2.7 10.1 0.7
CG A:HIS97 2.8 9.5 0.3
CE1 A:HIS135 2.9 11.2 1.0
O A:HOH2203 3.0 31.1 1.0
CE1 A:HIS446 3.1 12.0 1.0
CD2 A:HIS135 3.2 10.4 1.0
CG A:HIS97 3.2 8.8 0.7
NE2 A:HIS97 3.3 12.0 0.3
CD2 A:HIS446 3.3 18.5 1.0
CZ2 A:TRP133 3.6 10.1 1.0
CD2 A:HIS97 3.6 8.8 0.3
CB A:HIS97 3.8 7.1 0.3
CB A:HIS97 3.8 6.7 0.7
NE2 A:HIS97 4.0 11.5 0.7
CE2 A:TRP133 4.0 9.0 1.0
ND1 A:HIS135 4.1 10.8 1.0
CD2 A:HIS95 4.1 12.8 1.0
HG A:HG1464 4.1 13.6 0.2
NE1 A:TRP133 4.2 7.2 1.0
CD2 A:HIS97 4.2 8.1 0.7
ND1 A:HIS446 4.2 14.3 1.0
CG A:HIS135 4.2 9.8 1.0
CH2 A:TRP133 4.3 10.5 1.0
CG A:HIS446 4.3 11.8 1.0
NE2 A:HIS396 4.5 11.9 1.0
CD2 A:HIS396 4.5 11.7 1.0
O A:HOH2206 4.6 20.9 1.0
NE2 A:HIS95 4.7 19.3 1.0
HG A:HG1466 4.9 33.6 0.1
CD2 A:TRP133 5.0 7.9 1.0

Mercury binding site 4 out of 5 in 4ai7

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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 2 H 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 2 H in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1466

b:33.6
occ:0.10
ND1 A:HIS137 1.9 16.8 1.0
CE1 A:HIS137 2.4 13.2 1.0
NE2 A:HIS398 2.4 8.7 1.0
NE2 A:HIS444 2.5 14.2 1.0
O A:HOH2134 2.6 17.4 1.0
O A:HOH2206 2.6 20.9 1.0
CE1 A:HIS398 2.9 8.7 1.0
CG A:HIS137 3.0 13.8 1.0
CE1 A:HIS444 3.1 13.9 1.0
CD2 A:HIS444 3.4 10.4 1.0
NE2 A:HIS137 3.5 20.4 1.0
CD2 A:HIS398 3.7 8.6 1.0
CD2 A:HIS137 3.7 18.5 1.0
CB A:HIS137 3.7 11.4 1.0
CD2 A:HIS95 3.9 12.8 1.0
HG A:HG1464 4.1 13.6 0.2
ND1 A:HIS398 4.2 9.6 1.0
ND1 A:HIS444 4.2 10.7 1.0
O A:HOH2495 4.2 33.9 1.0
NE2 A:HIS95 4.3 19.3 1.0
CG A:HIS444 4.4 11.4 1.0
CG A:HIS95 4.5 12.3 1.0
CD2 A:HIS396 4.6 11.7 1.0
CG A:HIS398 4.6 6.8 1.0
CG2 A:VAL442 4.8 8.7 1.0
CE1 A:HIS135 4.8 11.2 1.0
CA A:HIS137 4.9 9.4 1.0
HG A:HG1465 4.9 14.3 0.2
CE1 A:HIS95 5.0 11.4 1.0

Mercury binding site 5 out of 5 in 4ai7

Go back to Mercury Binding Sites List in 4ai7
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 2 H 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 2 H in 5 Mm HGCL2 at 278 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1483

b:58.5
occ:0.20
NE2 A:HIS303 2.1 47.3 1.0
SD A:MET296 2.2 82.6 1.0
SD A:MET305 2.9 42.3 1.0
CD2 A:HIS303 3.1 80.7 1.0
CE1 A:HIS303 3.1 58.8 1.0
CG A:MET296 3.2 49.8 1.0
SD A:MET301 3.3 0.5 1.0
CE A:MET305 3.6 29.7 1.0
CE A:MET296 3.6 58.1 1.0
CG A:MET305 3.7 41.4 1.0
CG A:MET301 3.8 77.3 1.0
ND1 A:HIS303 4.2 82.0 1.0
CG A:HIS303 4.2 75.6 1.0
CG A:MET298 4.5 63.4 1.0
CB A:MET301 4.5 82.9 1.0
CB A:MET296 4.6 31.3 1.0
CB A:MET298 4.9 45.8 1.0
CE A:MET301 4.9 72.5 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 19:10:48 2020

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