Atomistry » Mercury » PDB 3wee-4ia4 » 4ai7
Atomistry »
  Mercury »
    PDB 3wee-4ia4 »
      4ai7 »

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

Go back to Mercury Binding Sites List in 4ai7
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

Go back to Mercury Binding Sites List in 4ai7
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 Aug 11 04:23:01 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy