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Mercury in PDB 1hkq: PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain.

Protein crystallography data

The structure of PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain., PDB code: 1hkq was solved by R.Giraldo, C.Fernandez-Tornero, P.R.Evans, R.Diaz-Orejas, A.Romero, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.89 / 2.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.866, 55.533, 96.073, 90.00, 90.00, 90.00
R / Rfree (%) 23.8 / 27.2

Mercury Binding Sites:

The binding sites of Mercury atom in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain. (pdb code 1hkq). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 8 binding sites of Mercury where determined in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain., PDB code: 1hkq:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Mercury binding site 1 out of 8 in 1hkq

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Mercury binding site 1 out of 8 in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1133

b:50.5
occ:1.00
C4 A:BEZ1134 2.0 72.0 1.0
SG A:CYS106 2.4 46.3 1.0
C5 A:BEZ1134 2.8 71.2 1.0
C3 A:BEZ1134 3.0 70.3 1.0
CB A:CYS106 3.1 42.3 1.0
OE1 A:GLN104 3.2 56.4 1.0
CB A:GLN104 3.4 48.1 1.0
O A:GLN104 3.8 47.4 1.0
CG2 A:THR47 4.0 36.5 1.0
CD A:GLN104 4.0 54.5 1.0
CG A:GLN104 4.1 51.3 1.0
C6 A:BEZ1134 4.1 71.1 1.0
C2 A:BEZ1134 4.3 70.4 1.0
C A:GLN104 4.4 47.2 1.0
CA A:CYS106 4.4 42.9 1.0
CA A:GLN104 4.5 47.3 1.0
N A:CYS106 4.6 43.5 1.0
C1 A:BEZ1134 4.7 70.7 1.0

Mercury binding site 2 out of 8 in 1hkq

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Mercury binding site 2 out of 8 in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1135

b:31.5
occ:0.38
SG A:CYS29 2.4 36.2 1.0
CB A:CYS29 3.3 33.9 1.0
CA A:CYS29 3.6 32.4 1.0
O A:CYS29 3.6 30.4 1.0
OG A:SER32 3.6 46.2 1.0
C A:CYS29 3.9 31.9 1.0
CG2 A:VAL56 4.3 29.6 1.0
CG A:LEU33 4.8 43.5 1.0
CB A:SER32 4.9 41.7 1.0
N A:CYS29 4.9 31.9 1.0
CB A:VAL56 5.0 30.3 1.0
CD2 A:LEU33 5.0 42.5 1.0

Mercury binding site 3 out of 8 in 1hkq

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Mercury binding site 3 out of 8 in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1136

b:36.2
occ:0.51
NE2 A:HIS118 2.6 37.2 1.0
CE1 A:HIS118 2.7 35.9 1.0
O A:THR114 3.2 24.5 1.0
O A:HOH2020 3.4 35.1 1.0
CD2 A:HIS118 3.6 36.5 1.0
ND1 A:HIS118 3.8 33.3 1.0
C A:THR114 4.0 25.1 1.0
CA A:THR114 4.2 24.9 1.0
CG A:HIS118 4.3 32.5 1.0
CB A:THR114 4.4 25.3 1.0

Mercury binding site 4 out of 8 in 1hkq

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Mercury binding site 4 out of 8 in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1137

b:65.1
occ:0.42
NE2 A:HIS123 2.2 32.4 1.0
CE1 A:HIS123 3.0 32.1 1.0
CD2 A:HIS123 3.2 32.1 1.0
CB A:SER32 3.7 41.7 1.0
ND1 A:HIS123 4.1 33.3 1.0
CG A:HIS123 4.3 32.8 1.0
CA A:SER32 4.5 40.8 1.0
OG A:SER32 4.8 46.2 1.0
OG1 A:THR127 5.0 42.6 1.0

Mercury binding site 5 out of 8 in 1hkq

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Mercury binding site 5 out of 8 in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1133

b:47.8
occ:1.00
C4 B:BEZ1134 2.1 63.2 1.0
SG B:CYS106 2.5 38.0 1.0
C3 B:BEZ1134 2.9 62.0 1.0
OE1 B:GLN104 3.0 39.2 1.0
C5 B:BEZ1134 3.1 63.3 1.0
O B:GLN104 3.4 37.7 1.0
CB B:CYS106 3.5 38.2 1.0
CB B:GLN104 3.7 35.5 1.0
CD B:GLN104 3.9 37.5 1.0
CG B:GLN104 4.0 35.6 1.0
C2 B:BEZ1134 4.2 61.6 1.0
C B:GLN104 4.3 37.4 1.0
C6 B:BEZ1134 4.4 62.8 1.0
CA B:GLN104 4.7 37.3 1.0
CG2 B:THR47 4.7 45.9 1.0
CA B:CYS106 4.8 38.0 1.0
O B:GLY105 4.8 39.9 1.0
C1 B:BEZ1134 4.9 61.4 1.0
N B:CYS106 4.9 38.9 1.0
C B:GLY105 4.9 39.5 1.0

Mercury binding site 6 out of 8 in 1hkq

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Mercury binding site 6 out of 8 in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1135

b:31.7
occ:0.10
SG B:CYS29 2.5 71.3 1.0
OG B:SER32 3.2 80.6 1.0
O B:CYS29 3.3 72.7 1.0
CA B:CYS29 3.4 69.9 1.0
CB B:CYS29 3.5 69.9 1.0
C B:CYS29 3.7 71.7 1.0
CB B:SER32 4.1 82.3 1.0
CG2 B:VAL56 4.5 66.2 1.0
N B:CYS29 4.7 67.9 1.0
N B:ALA30 4.9 73.5 1.0
CG1 B:VAL56 5.0 66.2 1.0

Mercury binding site 7 out of 8 in 1hkq

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Mercury binding site 7 out of 8 in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1136

b:50.9
occ:0.20
NE2 B:HIS118 2.1 55.6 1.0
CD2 B:HIS118 3.0 55.3 1.0
O B:THR114 3.1 40.9 1.0
CE1 B:HIS118 3.2 56.3 1.0
CG2 B:THR114 3.6 41.3 1.0
C B:THR114 4.1 40.5 1.0
CG B:HIS118 4.2 56.0 1.0
ND1 B:HIS118 4.2 56.2 1.0
CA B:THR114 4.4 38.8 1.0
CB B:THR114 4.6 38.1 1.0
OG B:SER9 4.7 87.1 1.0
CB B:PRO117 4.9 56.9 1.0

Mercury binding site 8 out of 8 in 1hkq

Go back to Mercury Binding Sites List in 1hkq
Mercury binding site 8 out of 8 in the PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain.


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of PPS10 Plasmid Dna Replication Initiator Protein Repa. Replication Inactive, Dimeric N-Terminal Domain. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1137

b:70.9
occ:0.20
NE2 B:HIS123 2.1 76.1 1.0
CD2 B:HIS123 2.4 75.5 1.0
CE1 B:HIS123 3.3 76.4 1.0
CG B:HIS123 3.7 75.0 1.0
ND1 B:HIS123 4.0 75.8 1.0
CB B:SER32 4.2 82.3 1.0
CA B:SER32 4.3 83.0 1.0
CD1 B:LEU28 4.4 65.3 1.0
O B:LEU28 4.6 66.2 1.0
N B:SER32 4.7 81.6 1.0
CG B:LEU28 4.8 66.2 1.0
CB B:HIS123 4.9 74.7 1.0

Reference:

R.Giraldo, C.Fernandez-Tornero, P.R.Evans, R.Diaz-Orejas, A.Romero. A Conformational Switch Between Transcriptional Repression and Replication Initiation in Repa Dimerization Domain Nat.Struct.Biol. V. 10 496 2003.
ISSN: ISSN 1072-8368
PubMed: 12825085
DOI: 10.1038/NSB0703-496
Page generated: Wed Oct 28 18:39:34 2020

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