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Mercury in PDB 3zyt: Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A

Protein crystallography data

The structure of Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A, PDB code: 3zyt was solved by U.G.Wagner, S.Fetzner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 135.23 / 2.45
Space group I 41 3 2
Cell size a, b, c (Å), α, β, γ (°) 191.246, 191.246, 191.246, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 21.6

Mercury Binding Sites:

The binding sites of Mercury atom in the Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A (pdb code 3zyt). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A, PDB code: 3zyt:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in 3zyt

Go back to Mercury Binding Sites List in 3zyt
Mercury binding site 1 out of 3 in the Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1373

b:76.8
occ:0.80
HG A:EMC1373 0.0 76.8 0.8
C1 A:EMC1373 2.4 14.3 0.8
SG A:CYS300 2.5 29.7 1.0
C2 A:EMC1373 2.9 18.5 0.8
OE1 A:GLU286 3.3 33.5 1.0
CD1 A:PHE289 3.4 24.6 1.0
CB A:CYS300 3.5 23.3 1.0
CB A:HIS309 3.9 26.4 1.0
CE1 A:PHE289 4.0 25.6 1.0
CG A:PHE289 4.1 25.5 1.0
CB A:PHE289 4.4 24.4 1.0
CD A:GLU286 4.4 35.0 1.0
O A:SER308 4.4 26.5 1.0
CG A:HIS309 4.6 27.2 1.0
CA A:CYS300 4.8 23.1 1.0
CG A:GLU286 4.9 29.8 1.0
CA A:HIS309 5.0 27.5 1.0
CD2 A:HIS309 5.0 28.7 1.0

Mercury binding site 2 out of 3 in 3zyt

Go back to Mercury Binding Sites List in 3zyt
Mercury binding site 2 out of 3 in the Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1374

b:92.8
occ:0.50
HG A:EMC1374 0.0 92.8 0.5
SG A:CYS354 2.4 39.5 1.0
C1 A:EMC1374 2.4 85.7 0.5
C2 A:EMC1374 3.3 84.4 0.5
CB A:CYS354 3.6 33.0 1.0
CA A:CYS354 3.7 32.5 1.0
N A:CYS354 4.0 31.9 1.0
O A:GLY353 4.1 34.2 1.0
C A:GLY353 4.1 33.3 1.0
CB A:PRO349 4.2 26.6 1.0
O A:VAL352 4.4 34.5 1.0
O A:HOH2139 4.5 30.6 1.0
CG A:PRO349 4.8 27.2 1.0
CA A:GLY353 4.9 33.1 1.0
O A:HOH2141 4.9 36.4 1.0

Mercury binding site 3 out of 3 in 3zyt

Go back to Mercury Binding Sites List in 3zyt
Mercury binding site 3 out of 3 in the Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure Determination of Esta From Arthrobacter Nitroguajacolicus RUE61A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1375

b:69.0
occ:0.70
HG A:EMC1375 0.0 69.0 0.7
C1 A:EMC1375 2.4 65.3 0.7
C2 A:EMC1375 3.3 67.6 0.7
ND1 A:HIS309 3.6 31.3 1.0
CZ A:PHE289 3.6 24.0 1.0
N A:THR310 3.7 30.9 1.0
CE1 A:PHE289 3.7 25.6 1.0
CB A:HIS309 3.8 26.4 1.0
CB A:THR310 3.9 32.2 1.0
C1 A:EMC1373 3.9 14.3 0.8
CG A:HIS309 4.0 27.2 1.0
N A:ARG311 4.2 38.0 1.0
OG1 A:THR310 4.3 31.3 1.0
CA A:THR310 4.3 32.6 1.0
C A:HIS309 4.5 29.8 1.0
CA A:HIS309 4.7 27.5 1.0
C A:THR310 4.8 35.0 1.0
C2 A:EMC1373 4.9 18.5 0.8
CE2 A:PHE289 4.9 25.3 1.0
CE1 A:HIS309 4.9 30.5 1.0
CD1 A:PHE289 5.0 24.6 1.0

Reference:

U.G.Wagner, F.Dimaio, S.Kolkenbrock, S.Fetzner. Crystal Structure Analysis of Esta From Arthrobacter Sp. RUE61A--An Insight Into Catalytic Promiscuity. Febs Lett. V. 588 1154 2014.
ISSN: ISSN 0014-5793
PubMed: 24613918
DOI: 10.1016/J.FEBSLET.2014.02.045
Page generated: Sun Dec 13 19:10:41 2020

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