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Mercury in PDB 4c7n: Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf

Protein crystallography data

The structure of Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf, PDB code: 4c7n was solved by D.Wohlwend, S.Gerhardt, T.Kuekenshoener, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.92 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 23.701, 33.265, 61.125, 90.00, 94.65, 90.00
R / Rfree (%) 22.755 / 25.312

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf (pdb code 4c7n). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 6 binding sites of Mercury where determined in the Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf, PDB code: 4c7n:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6;

Mercury binding site 1 out of 6 in 4c7n

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Mercury binding site 1 out of 6 in the Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf


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 the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1049

b:35.6
occ:0.30
NE2 A:HIS48 1.8 70.5 1.0
CE1 A:HIS48 2.4 68.5 1.0
CD2 A:HIS48 3.0 66.8 1.0
ND1 A:HIS48 3.6 63.3 1.0
CG A:HIS48 3.9 61.7 1.0
O B:ALA48 4.4 40.9 1.0

Mercury binding site 2 out of 6 in 4c7n

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Mercury binding site 2 out of 6 in the Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf


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 the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1052

b:34.3
occ:0.40
CD2 B:HIS30 2.9 37.8 1.0
NE2 B:HIS30 3.1 42.6 1.0
HG B:HG1054 3.1 34.1 0.4
O B:HOH2020 3.2 37.9 1.0
CG B:HIS30 3.6 36.1 1.0
CE1 B:HIS30 3.8 45.6 1.0
ND1 B:HIS30 4.1 42.5 1.0
CB B:HIS30 4.5 31.5 1.0

Mercury binding site 3 out of 6 in 4c7n

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Mercury binding site 3 out of 6 in the Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf


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 the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1053

b:35.2
occ:0.42
ND1 B:HIS30 2.7 42.5 1.0
O B:HOH2020 3.0 37.9 1.0
CG B:HIS30 3.2 36.1 1.0
HG B:HG1055 3.2 38.2 0.4
CB B:HIS30 3.2 31.5 1.0
CE1 B:HIS30 3.6 45.6 1.0
O B:LYS26 4.1 27.6 1.0
O B:HOH2004 4.3 27.7 1.0
CD2 B:HIS30 4.3 37.8 1.0
NE2 B:HIS30 4.5 42.6 1.0
CA B:HIS30 4.7 26.4 1.0
C B:LYS26 4.7 30.9 1.0
CA B:LYS27 4.9 30.6 1.0

Mercury binding site 4 out of 6 in 4c7n

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Mercury binding site 4 out of 6 in the Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf


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 the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1054

b:34.1
occ:0.38
O B:HOH2021 3.0 44.1 1.0
HG B:HG1052 3.1 34.3 0.4
CB B:HIS34 3.3 31.5 1.0
CG B:HIS34 3.3 38.8 1.0
ND1 B:HIS34 3.4 47.7 1.0
CD2 B:HIS30 3.7 37.8 1.0
CD2 B:HIS34 4.0 42.2 1.0
CE1 B:HIS34 4.1 50.2 1.0
NE2 B:HIS30 4.2 42.6 1.0
CA B:GLU31 4.3 24.1 1.0
NE2 B:HIS34 4.4 47.8 1.0
O B:HIS30 4.5 24.2 1.0
CG B:GLU31 4.7 34.2 1.0
N B:GLU31 4.7 24.0 1.0
CA B:HIS34 4.8 25.2 1.0
C B:HIS30 4.8 25.4 1.0
O B:HOH2006 4.9 42.9 1.0
CG B:HIS30 4.9 36.1 1.0

Mercury binding site 5 out of 6 in 4c7n

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Mercury binding site 5 out of 6 in the Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf


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 the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1055

b:38.2
occ:0.44
O B:HOH2022 2.9 49.0 1.0
O B:HOH2003 2.9 40.7 1.0
HG B:HG1053 3.2 35.2 0.4
O B:HOH2020 4.3 37.9 1.0
CG B:LYS27 4.7 41.7 1.0
NZ B:LYS27 4.8 58.9 1.0

Mercury binding site 6 out of 6 in 4c7n

Go back to Mercury Binding Sites List in 4c7n
Mercury binding site 6 out of 6 in the Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Crystal Structure of the Synthetic Peptide IM10 in Complex with the Coiled-Coil Region of Mitf within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1056

b:33.4
occ:0.40
OE1 B:GLU20 3.6 53.2 1.0
CD B:GLU20 4.2 53.0 1.0
OE2 B:GLU20 4.5 62.8 1.0
CB B:GLU20 5.0 40.0 1.0

Reference:

T.Kukenshoner, D.Wohlwend, J.Niemoller, P.Dondapati, J.Speck, A.V.Adeniran, A.Nieth, S.Gerhardt, O.Einsle, K.M.Muller, K.M.Arndt. Improving Coiled Coil Stability While Maintaining Specificity By A Bacterial Hitchhiker Selection System. J.Struct.Biol. V. 186 335 2014.
ISSN: ISSN 1047-8477
PubMed: 24631970
DOI: 10.1016/J.JSB.2014.03.002
Page generated: Sun Dec 13 19:10:51 2020

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