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Mercury in PDB 1kwp: Crystal Structure of MAPKAP2

Protein crystallography data

The structure of Crystal Structure of MAPKAP2, PDB code: 1kwp was solved by W.Meng, L.L.Swenson, M.J.Fitzgibbon, K.Hayakawa, E.Ter Haar, A.E.Behrens, J.R.Fulghum, J.A.Lippke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.60 / 2.80
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 143.944, 143.944, 90.273, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Mercury Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Mercury atom in the Crystal Structure of MAPKAP2 (pdb code 1kwp). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 14 binding sites of Mercury where determined in the Crystal Structure of MAPKAP2, PDB code: 1kwp:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 14 in 1kwp

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Mercury binding site 1 out of 14 in the Crystal Structure of MAPKAP2


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 MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg401

b:0.4
occ:1.00
SG A:CYS98 2.5 53.6 1.0
OE1 A:GLN96 2.5 47.4 1.0
CD A:GLN96 3.4 47.7 1.0
CB A:CYS98 3.7 50.4 1.0
CG A:GLN96 3.9 47.4 1.0
NE2 A:GLN96 4.4 47.8 1.0
O A:GLN96 4.5 46.0 1.0
CG A:LYS100 4.6 48.0 1.0
CB A:LYS100 4.9 47.3 1.0
CB A:ALA101 4.9 44.5 1.0

Mercury binding site 2 out of 14 in 1kwp

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Mercury binding site 2 out of 14 in the Crystal Structure of MAPKAP2


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 MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg402

b:78.1
occ:1.00
SG A:CYS114 1.9 46.3 1.0
CB A:CYS114 3.1 42.8 1.0
CD1 A:TYR176 3.3 37.7 1.0
CA A:CYS114 3.3 42.6 1.0
CD A:PRO115 3.6 40.6 1.0
CG A:TYR176 3.7 36.7 1.0
CB A:TYR176 3.9 35.4 1.0
CE1 A:TYR176 3.9 37.3 1.0
N A:CYS114 4.2 43.8 1.0
N A:PRO115 4.4 40.7 1.0
C A:CYS114 4.4 41.0 1.0
CD2 A:TYR176 4.6 36.9 1.0
CZ A:TYR176 4.7 38.0 1.0
CD2 A:HIS116 4.7 40.4 1.0
CA A:TYR176 4.9 33.8 1.0
CG A:PRO115 5.0 41.2 1.0

Mercury binding site 3 out of 14 in 1kwp

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Mercury binding site 3 out of 14 in the Crystal Structure of MAPKAP2


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 MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg403

b:78.5
occ:1.00
O A:HOH465 2.3 24.0 1.0
O A:LEU203 2.6 37.2 1.0
O A:SER169 3.1 34.1 1.0
C A:SER169 3.5 34.4 1.0
C A:LEU203 3.5 38.6 1.0
ND1 A:HIS116 3.7 39.9 1.0
O A:HIS116 3.8 36.4 1.0
CA A:ILE170 3.8 33.0 1.0
CB A:HIS116 3.8 38.6 1.0
N A:ILE170 3.9 33.2 1.0
CA A:LYS204 3.9 38.6 1.0
CD2 A:LEU205 4.0 39.7 1.0
CB A:ALA173 4.0 31.7 1.0
CB A:SER169 4.1 34.2 1.0
N A:LYS204 4.1 38.7 1.0
CG A:HIS116 4.1 40.5 1.0
CA A:HIS116 4.3 37.0 1.0
CA A:SER169 4.3 35.0 1.0
CG A:LEU203 4.3 40.6 1.0
CB A:LEU203 4.3 40.6 1.0
CG1 A:ILE170 4.4 30.6 1.0
C A:HIS116 4.5 36.9 1.0
CD2 A:LEU203 4.5 40.4 1.0
CA A:LEU203 4.6 40.6 1.0
N A:LEU205 4.6 38.3 1.0
C A:LYS204 4.6 38.2 1.0
CB A:ILE170 4.7 31.9 1.0
CE1 A:HIS116 4.7 38.8 1.0
OG A:SER169 4.8 35.7 1.0
C A:ILE170 4.8 34.0 1.0
O A:ILE170 4.9 34.4 1.0
CB A:LYS204 4.9 38.6 1.0

Mercury binding site 4 out of 14 in 1kwp

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Mercury binding site 4 out of 14 in the Crystal Structure of MAPKAP2


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 MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg404

b:75.6
occ:1.00
SG A:CYS133 2.3 43.7 1.0
O A:LEU95 3.2 43.6 1.0
CB A:CYS133 3.4 39.8 1.0
C A:LEU95 3.7 43.4 1.0
CA A:CYS133 4.0 39.2 1.0
N A:GLN96 4.2 44.3 1.0
N A:LEU95 4.2 43.3 1.0
CA A:GLN96 4.2 45.0 1.0
CE A:MET94 4.4 58.0 1.0
CB A:MET94 4.4 48.6 1.0
CA A:LEU95 4.6 42.9 1.0
CD1 A:ILE74 4.6 59.7 1.0
C A:MET94 4.7 43.9 1.0
N A:CYS133 4.9 40.9 1.0
N A:LEU134 4.9 35.3 1.0
O A:LYS132 4.9 42.2 1.0

Mercury binding site 5 out of 14 in 1kwp

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Mercury binding site 5 out of 14 in the Crystal Structure of MAPKAP2


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 MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg405

b:81.3
occ:1.00
O A:HOH458 2.2 16.8 1.0
SG A:CYS140 2.3 54.3 1.0
CB A:CYS140 3.4 48.0 1.0
CB A:ALA91 3.7 39.9 1.0
CA A:CYS140 3.9 46.7 1.0
CA A:ALA91 4.1 41.0 1.0
N A:LEU141 4.5 46.2 1.0
O A:PHE90 4.5 44.3 1.0
N A:ALA91 4.5 42.7 1.0
C A:CYS140 4.5 46.4 1.0
C A:PHE90 4.6 45.2 1.0
CB A:GLN80 4.8 47.2 1.0
O A:LEU141 5.0 46.1 1.0

Mercury binding site 6 out of 14 in 1kwp

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Mercury binding site 6 out of 14 in the Crystal Structure of MAPKAP2


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 MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg406

b:60.2
occ:1.00
SG A:CYS244 2.3 29.9 1.0
CE A:MET363 2.9 44.1 1.0
N A:CYS244 3.4 32.4 1.0
CB A:CYS244 3.4 29.7 1.0
O A:TYR240 3.4 42.8 1.0
CE1 A:TYR240 3.5 38.0 1.0
CA A:CYS244 3.5 30.8 1.0
CZ A:TYR240 3.5 36.8 1.0
OH A:TYR240 3.9 36.7 1.0
C A:SER243 3.9 35.0 1.0
CE2 A:TYR240 3.9 37.1 1.0
CD1 A:TYR240 4.0 38.9 1.0
CD2 A:TYR240 4.3 38.1 1.0
CG A:TYR240 4.4 39.6 1.0
O A:SER243 4.4 35.3 1.0
CB A:MET363 4.4 38.2 1.0
C A:TYR240 4.4 42.7 1.0
CB A:SER243 4.5 37.3 1.0
SD A:MET363 4.5 49.7 1.0
O A:MET363 4.6 31.5 1.0
O A:ASP241 4.6 41.0 1.0
CA A:SER243 4.7 36.4 1.0
C A:MET363 5.0 33.0 1.0

Mercury binding site 7 out of 14 in 1kwp

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Mercury binding site 7 out of 14 in the Crystal Structure of MAPKAP2


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Crystal Structure of MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg407

b:57.0
occ:1.00
SG A:CYS258 0.3 33.4 1.0
CB A:CYS258 2.0 30.8 1.0
CA A:CYS258 3.1 33.5 1.0
N A:CYS258 3.1 36.0 1.0
O A:TYR254 3.3 31.3 1.0
CD1 A:TYR254 3.5 26.1 1.0
CE1 A:TYR254 3.5 26.5 1.0
CG A:PRO287 3.7 37.8 1.0
CG A:TYR254 3.8 27.9 1.0
CZ A:TYR254 3.8 28.2 1.0
C A:LEU257 3.9 36.3 1.0
C A:TYR254 4.0 31.7 1.0
CD A:PRO287 4.0 38.6 1.0
CD2 A:TYR254 4.1 27.7 1.0
CE2 A:TYR254 4.2 27.0 1.0
CB A:LEU257 4.2 33.4 1.0
CA A:TYR254 4.3 31.4 1.0
C A:CYS258 4.4 33.0 1.0
O A:LEU257 4.5 38.4 1.0
O A:TYR260 4.5 30.1 1.0
OH A:TYR254 4.5 28.8 1.0
CA A:LEU257 4.6 34.8 1.0
CB A:TYR254 4.6 29.5 1.0
N A:GLY259 4.8 33.0 1.0
CB A:PRO287 5.0 38.2 1.0

Mercury binding site 8 out of 14 in 1kwp

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Mercury binding site 8 out of 14 in the Crystal Structure of MAPKAP2


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Crystal Structure of MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg401

b:0.6
occ:1.00
SG B:CYS98 2.3 43.7 1.0
CB B:CYS98 3.9 41.0 1.0
CB B:LYS100 4.5 34.3 1.0
O B:GLN96 4.6 38.2 1.0
O B:PRO99 4.9 39.8 1.0
N B:ALA101 5.0 36.7 1.0

Mercury binding site 9 out of 14 in 1kwp

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Mercury binding site 9 out of 14 in the Crystal Structure of MAPKAP2


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Crystal Structure of MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg402

b:60.6
occ:1.00
SG B:CYS114 2.6 35.6 1.0
CB B:CYS114 3.3 34.4 1.0
CD1 B:TYR176 3.6 19.8 1.0
CG B:TYR176 3.7 18.3 1.0
CD B:PRO115 3.7 31.7 1.0
CA B:CYS114 3.8 34.4 1.0
CB B:TYR176 3.8 19.3 1.0
CE1 B:TYR176 4.2 20.4 1.0
CD2 B:TYR176 4.4 20.7 1.0
N B:PRO115 4.5 33.2 1.0
C B:CYS114 4.6 34.4 1.0
CD2 B:HIS116 4.8 34.6 1.0
CZ B:TYR176 4.9 21.5 1.0
N B:CYS114 4.9 35.0 1.0
CE2 B:TYR176 5.0 21.8 1.0
CG B:PRO115 5.0 33.6 1.0

Mercury binding site 10 out of 14 in 1kwp

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Mercury binding site 10 out of 14 in the Crystal Structure of MAPKAP2


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 10 of Crystal Structure of MAPKAP2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg403

b:70.4
occ:1.00
O B:LEU203 3.2 28.0 1.0
O B:SER169 3.4 26.9 1.0
C B:SER169 3.6 25.5 1.0
O B:HIS116 3.7 24.4 1.0
N B:ILE170 3.7 25.4 1.0
C B:LEU203 3.7 28.0 1.0
CB B:HIS116 3.8 30.3 1.0
CA B:ILE170 3.9 24.2 1.0
ND1 B:HIS116 3.9 34.9 1.0
CA B:LYS204 3.9 27.4 1.0
CB B:SER169 4.0 25.8 1.0
CG B:HIS116 4.0 33.8 1.0
N B:LYS204 4.1 27.4 1.0
CD2 B:LEU205 4.1 28.5 1.0
CG B:LEU203 4.2 28.6 1.0
CB B:ALA173 4.2 25.2 1.0
CA B:HIS116 4.3 28.6 1.0
CA B:SER169 4.4 25.8 1.0
C B:HIS116 4.4 27.1 1.0
C B:LYS204 4.4 27.0 1.0
N B:LEU205 4.5 26.8 1.0
CB B:LEU203 4.6 28.2 1.0
CA B:LEU203 4.8 29.6 1.0
CE1 B:HIS116 4.8 34.3 1.0
C B:ILE170 4.8 23.8 1.0
O B:ILE170 4.8 24.8 1.0
CD1 B:LEU203 4.9 29.4 1.0
CG1 B:ILE170 4.9 22.3 1.0
CD2 B:HIS116 5.0 34.6 1.0
CD2 B:LEU203 5.0 25.9 1.0
CB B:ILE170 5.0 24.4 1.0

Reference:

W.Meng, L.L.Swenson, M.J.Fitzgibbon, K.Hayakawa, E.Ter Haar, A.E.Behrens, J.R.Fulghum, J.A.Lippke. Structure of Mitogen-Activated Protein Kinase-Activated Protein (Mapkap) Kinase 2 Suggests A Bifunctional Switch That Couples Kinase Activation with Nuclear Export J.Biol.Chem. V. 277 37401 2002.
ISSN: ISSN 0021-9258
PubMed: 12171911
DOI: 10.1074/JBC.C200418200
Page generated: Sun Dec 13 19:03:40 2020

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