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Mercury in PDB 1in0: Yajq Protein (HI1034)

Protein crystallography data

The structure of Yajq Protein (HI1034), PDB code: 1in0 was solved by A.Teplyakov, G.L.Gilliland, Structure 2 Function Project (S2F), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.14
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 62.800, 62.800, 194.500, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / n/a

Other elements in 1in0:

The structure of Yajq Protein (HI1034) also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Yajq Protein (HI1034) (pdb code 1in0). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Yajq Protein (HI1034), PDB code: 1in0:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 1in0

Go back to Mercury Binding Sites List in 1in0
Mercury binding site 1 out of 4 in the Yajq Protein (HI1034)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Yajq Protein (HI1034) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg202

b:61.3
occ:0.40
SG A:CYS69 2.4 32.9 1.0
C A:MMC201 2.9 24.2 0.6
HG A:MMC201 3.0 37.0 0.6
CG2 A:ILE74 3.2 33.7 1.0
CD2 A:LEU79 3.3 29.7 1.0
CD1 A:ILE74 3.7 24.6 1.0
CB A:ILE74 3.8 36.6 1.0
CG A:LEU79 3.8 33.1 1.0
CB A:CYS69 3.9 23.1 1.0
CD1 A:LEU79 4.1 42.5 1.0
CG1 A:ILE74 4.4 37.7 1.0
CA A:CYS69 4.5 44.6 1.0
O A:GLU75 4.6 52.5 1.0
CA A:HIS76 5.0 49.4 1.0

Mercury binding site 2 out of 4 in 1in0

Go back to Mercury Binding Sites List in 1in0
Mercury binding site 2 out of 4 in the Yajq Protein (HI1034)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Yajq Protein (HI1034) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg201

b:37.0
occ:0.60
HG A:MMC201 0.0 37.0 0.6
C A:MMC201 1.4 24.2 0.6
SG A:CYS69 2.5 32.9 1.0
HG A:HG202 3.0 61.3 0.4
O A:LEU65 3.0 39.1 1.0
N A:CYS69 3.3 42.2 1.0
CB A:CYS69 3.5 23.1 1.0
CA A:CYS69 3.6 44.6 1.0
C A:LEU65 3.6 30.6 1.0
CB A:ALA18 3.8 39.7 1.0
C A:SER68 4.1 41.9 1.0
CD1 A:LEU79 4.2 42.5 1.0
CA A:LEU65 4.3 42.9 1.0
CB A:SER68 4.5 39.1 1.0
CG A:LEU65 4.5 55.0 1.0
N A:ILE66 4.5 34.5 1.0
CB A:LEU65 4.6 44.6 1.0
CA A:SER68 4.7 33.0 1.0
CA A:ILE66 4.8 42.4 1.0
O A:SER68 4.9 35.8 1.0
CD1 A:ILE74 4.9 24.6 1.0
CD2 A:LEU79 5.0 29.7 1.0
CG A:LEU79 5.0 33.1 1.0

Mercury binding site 3 out of 4 in 1in0

Go back to Mercury Binding Sites List in 1in0
Mercury binding site 3 out of 4 in the Yajq Protein (HI1034)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Yajq Protein (HI1034) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg201

b:49.9
occ:0.60
SG B:CYS69 2.7 48.8 1.0
CD1 B:LEU65 2.8 69.7 1.0
O B:LEU65 3.1 34.0 1.0
CB B:ALA18 3.6 29.2 1.0
CB B:CYS69 3.8 44.3 1.0
N B:CYS69 3.8 59.5 1.0
C B:LEU65 3.9 41.4 1.0
HG B:HG202 3.9 67.1 0.4
CG B:LEU65 3.9 72.9 1.0
CA B:CYS69 4.1 61.4 1.0
CB B:LEU65 4.1 33.1 1.0
CD1 B:ILE48 4.1 34.3 1.0
CA B:LEU65 4.2 39.6 1.0
O B:ALA18 4.3 47.4 1.0
C B:ALA18 4.3 49.7 1.0
CB B:SER68 4.4 56.3 1.0
CA B:ALA18 4.6 56.3 1.0
N B:VAL19 4.7 45.7 1.0
CD2 B:LEU65 4.7 29.4 1.0
C B:SER68 4.7 58.9 1.0
CG2 B:VAL19 4.8 66.2 1.0
N B:ILE66 5.0 34.5 1.0

Mercury binding site 4 out of 4 in 1in0

Go back to Mercury Binding Sites List in 1in0
Mercury binding site 4 out of 4 in the Yajq Protein (HI1034)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Yajq Protein (HI1034) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg202

b:67.1
occ:0.40
SG B:CYS69 2.0 48.8 1.0
CG2 B:ILE74 2.7 60.2 1.0
CB B:ILE74 3.1 66.4 1.0
CB B:CYS69 3.4 44.3 1.0
CD1 B:ILE74 3.6 67.2 1.0
CD2 B:LEU79 3.6 31.7 1.0
CD1 B:LEU79 3.8 46.4 1.0
O B:ILE74 3.8 73.2 1.0
CG B:LEU79 3.8 44.7 1.0
HG B:HG201 3.9 49.9 0.6
CG1 B:ILE74 3.9 52.5 1.0
CA B:CYS69 4.3 61.4 1.0
C B:ILE74 4.4 66.2 1.0
CA B:ILE74 4.4 67.0 1.0
CD1 B:LEU65 4.8 69.7 1.0
CD2 B:LEU98 4.8 30.4 1.0
O B:GLU75 4.8 59.9 1.0

Reference:

A.Teplyakov, G.Obmolova, N.Bir, P.Reddy, A.J.Howard, G.L.Gilliland. Crystal Structure of the Yajq Protein From Haemophilus Influenzae Reveals A Tandem of Rnp-Like Domains J.Struct.Funct.Genom. V. 4 1 2003.
ISSN: ISSN 1345-711X
PubMed: 12943362
DOI: 10.1023/A:1024620416876
Page generated: Sun Dec 13 19:03:15 2020

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