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Mercury in PDB 3hfx: Crystal Structure of Carnitine Transporter

Protein crystallography data

The structure of Crystal Structure of Carnitine Transporter, PDB code: 3hfx was solved by L.Tang, W.-H.Wang, L.Bai, T.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 3.15
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 134.210, 134.210, 85.000, 90.00, 90.00, 120.00
R / Rfree (%) 26.2 / 28.1

Mercury Binding Sites:

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

Mercury binding site 1 out of 9 in 3hfx

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Mercury binding site 1 out of 9 in the Crystal Structure of Carnitine Transporter


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 Carnitine Transporter within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg505

b:79.2
occ:0.76
SG A:CYS481 2.5 58.3 1.0
O A:CYS481 3.3 55.0 1.0
CA A:CYS481 3.3 55.7 1.0
CB A:CYS481 3.4 55.9 1.0
C A:CYS481 3.6 55.2 1.0
CE1 A:PHE55 4.1 43.0 1.0
CZ A:PHE55 4.1 43.0 1.0
CE1 A:PHE485 4.4 50.8 1.0
N A:CYS481 4.7 55.7 1.0
N A:PRO482 4.7 54.9 1.0
CB A:PHE484 4.9 51.4 1.0
CB A:TRP51 4.9 52.9 1.0
CG A:PHE484 5.0 50.5 1.0

Mercury binding site 2 out of 9 in 3hfx

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Mercury binding site 2 out of 9 in the Crystal Structure of Carnitine Transporter


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 Carnitine Transporter within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg506

b:74.5
occ:0.65
SG A:CYS99 2.2 70.5 1.0
O A:SER101 2.6 62.5 1.0
N A:SER101 3.3 64.5 1.0
N A:THR100 3.6 66.8 1.0
C A:SER101 3.6 62.6 1.0
C A:CYS99 3.6 67.5 1.0
C A:THR100 3.8 65.3 1.0
O A:CYS99 3.8 67.7 1.0
CB A:CYS99 3.9 68.3 1.0
CA A:THR100 3.9 66.0 1.0
CA A:SER101 4.0 63.4 1.0
CG1 A:VAL104 4.1 54.0 1.0
CA A:CYS99 4.3 68.0 1.0
CB A:VAL104 4.5 54.1 1.0
O A:THR100 4.6 65.3 1.0
N A:ALA102 4.8 61.7 1.0
CB A:SER101 4.9 63.5 1.0

Mercury binding site 3 out of 9 in 3hfx

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Mercury binding site 3 out of 9 in the Crystal Structure of Carnitine Transporter


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 Carnitine Transporter within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg507

b:96.3
occ:0.46
SG A:CYS238 2.8 87.6 1.0
O A:CYS238 2.9 88.0 1.0
CD1 A:LEU242 3.0 89.4 1.0
CB A:LEU242 3.3 89.9 1.0
CG A:LEU242 3.7 89.7 1.0
C A:CYS238 3.8 87.8 1.0
CB A:CYS238 4.1 87.4 1.0
CA A:CYS238 4.2 87.5 1.0
CG1 A:ILE241 4.2 89.1 1.0
CD1 A:ILE241 4.2 88.9 1.0
CA A:LEU242 4.3 90.0 1.0
N A:LEU242 4.3 89.8 1.0
N A:TRP239 4.9 88.3 1.0
CD2 A:LEU242 5.0 89.5 1.0

Mercury binding site 4 out of 9 in 3hfx

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Mercury binding site 4 out of 9 in the Crystal Structure of Carnitine Transporter


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 Carnitine Transporter within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg508

b:0.7
occ:0.63
SG A:CYS26 3.0 82.7 1.0
CG2 A:ILE459 3.4 73.6 1.0
CG1 A:VAL462 3.5 70.8 1.0
CA A:CYS26 4.0 81.9 1.0
CB A:CYS26 4.1 82.0 1.0
CB A:VAL462 4.1 70.5 1.0
CG2 A:VAL462 4.2 70.8 1.0
CE2 A:PHE202 4.2 64.5 1.0
N A:CYS26 4.3 81.5 1.0
O A:VAL22 4.3 77.5 1.0
O A:LEU25 4.3 81.0 1.0
CB A:ILE459 4.3 73.6 1.0
C A:LEU25 4.3 81.0 1.0
CA A:ILE459 4.4 73.5 1.0
CG1 A:VAL22 4.5 76.7 1.0
CB A:LEU25 4.5 80.5 1.0
CG1 A:ILE459 4.5 73.2 1.0
CZ A:PHE202 4.9 65.0 1.0

Mercury binding site 5 out of 9 in 3hfx

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Mercury binding site 5 out of 9 in the Crystal Structure of Carnitine Transporter


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 Carnitine Transporter within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg509

b:77.2
occ:0.33
O A:MET204 2.9 62.4 1.0
CD2 A:LEU422 3.2 75.4 1.0
SG A:CYS426 3.2 81.8 1.0
CB A:MET204 3.4 63.1 1.0
CG A:LEU422 3.4 75.7 1.0
CA A:MET204 3.5 62.8 1.0
C A:MET204 3.5 62.4 1.0
CD2 A:LEU208 3.8 61.2 1.0
CG1 A:VAL456 3.8 76.8 1.0
CD1 A:LEU422 3.8 75.4 1.0
CG A:MET204 4.0 64.1 1.0
CB A:SER207 4.5 61.2 1.0
O A:LEU422 4.7 76.2 1.0
N A:LEU208 4.7 61.1 1.0
N A:GLY205 4.8 61.9 1.0
C A:LEU422 4.8 76.2 1.0
SD A:MET204 4.8 65.1 1.0
CB A:LEU422 4.9 75.7 1.0
CB A:LEU208 4.9 61.3 1.0
CG A:LEU208 4.9 61.0 1.0
CB A:CYS426 4.9 81.9 1.0
N A:MET204 4.9 63.0 1.0
N A:VAL423 4.9 76.7 1.0
CA A:VAL423 5.0 77.1 1.0

Mercury binding site 6 out of 9 in 3hfx

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Mercury binding site 6 out of 9 in the Crystal Structure of Carnitine Transporter


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 Carnitine Transporter within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg510

b:79.7
occ:0.11
SG A:CYS218 2.5 70.2 1.0
O A:LEU214 2.9 63.6 1.0
CB A:CYS415 2.9 69.7 1.0
CB A:CYS218 3.1 70.2 1.0
O A:PHE411 3.1 66.5 1.0
SG A:CYS415 3.2 69.5 1.0
CA A:VAL215 3.2 64.9 1.0
C A:LEU214 3.3 63.6 1.0
N A:VAL215 3.4 64.3 1.0
CA A:PHE412 3.5 66.6 1.0
C A:PHE411 3.8 66.4 1.0
N A:PHE412 3.9 66.5 1.0
CG2 A:VAL215 4.0 64.8 1.0
O A:PHE412 4.1 66.6 1.0
CB A:VAL215 4.2 64.9 1.0
C A:VAL215 4.2 65.3 1.0
C A:PHE412 4.2 66.9 1.0
O A:VAL215 4.3 65.3 1.0
CA A:CYS415 4.3 69.7 1.0
CB A:PHE412 4.4 66.7 1.0
CB A:LEU214 4.4 63.3 1.0
CA A:LEU214 4.4 63.4 1.0
CA A:CYS218 4.4 70.2 1.0
CD1 A:PHE412 4.6 66.2 1.0
N A:CYS218 4.7 69.5 1.0
C A:CYS415 4.8 69.9 1.0
CG A:PHE412 4.9 66.3 1.0
N A:CYS415 5.0 69.5 1.0

Mercury binding site 7 out of 9 in 3hfx

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Mercury binding site 7 out of 9 in the Crystal Structure of Carnitine Transporter


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 Carnitine Transporter within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg511

b:76.0
occ:0.15
CB A:CYS426 2.4 81.9 1.0
C5A A:152602 2.7 62.9 1.0
CE A:MET204 3.2 64.7 1.0
SG A:CYS426 3.2 81.8 1.0
C5C A:152602 3.3 62.7 1.0
N5 A:152602 3.4 63.1 1.0
C4 A:152602 3.7 62.7 1.0
OE1 A:GLN330 3.7 63.6 1.0
CA A:CYS426 3.7 81.6 1.0
NE2 A:GLN330 4.0 63.2 1.0
SD A:MET204 4.1 65.1 1.0
CG A:MET204 4.2 64.1 1.0
C3 A:152602 4.2 63.0 1.0
CD A:GLN330 4.2 62.1 1.0
N A:CYS426 4.4 81.1 1.0
O1B A:152602 4.6 62.8 1.0
C5B A:152602 4.7 61.2 1.0
O3 A:152602 4.8 63.0 1.0
C A:CYS426 4.9 82.0 1.0
CE1 A:TYR327 4.9 54.0 1.0
CD1 A:LEU422 4.9 75.4 1.0
OG1 A:THR429 5.0 85.3 1.0
O A:CYS426 5.0 82.0 1.0

Mercury binding site 8 out of 9 in 3hfx

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Mercury binding site 8 out of 9 in the Crystal Structure of Carnitine Transporter


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 Carnitine Transporter within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg512

b:83.6
occ:0.20
O A:LEU251 2.8 99.6 1.0
CA A:GLN252 3.3 99.4 1.0
C A:LEU251 3.3 99.6 1.0
CG2 A:VAL255 3.4 95.7 1.0
N A:GLN252 3.4 99.5 1.0
CB A:VAL255 3.6 96.2 1.0
CB A:GLN252 3.8 99.5 1.0
N A:VAL255 4.3 96.8 1.0
N A:LEU251 4.4 99.6 1.0
CA A:LEU251 4.4 99.6 1.0
C A:GLN252 4.5 99.3 1.0
CA A:VAL255 4.5 96.2 1.0
CG1 A:VAL255 4.7 96.0 1.0
O A:CYS246 4.8 94.8 1.0
N A:LYS253 4.9 99.1 1.0

Mercury binding site 9 out of 9 in 3hfx

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Mercury binding site 9 out of 9 in the Crystal Structure of Carnitine Transporter


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 Carnitine Transporter within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg513

b:88.8
occ:0.26
SG A:CYS249 3.2 98.8 1.0
CB A:CYS249 3.2 98.5 1.0
N A:CYS249 3.3 98.0 1.0
CB A:ALA248 3.5 97.0 1.0
C A:ALA248 3.8 97.5 1.0
CA A:CYS249 3.9 98.4 1.0
O A:ILE245 4.1 93.3 1.0
CA A:ALA248 4.2 97.2 1.0
O A:ALA248 4.5 97.7 1.0

Reference:

L.Tang, L.Bai, W.-H.Wang, T.Jiang. Crystal Structure of the Carnitine Transporter and Insights Into the Antiport Mechanism Nat.Struct.Mol.Biol. V. 17 492 2010.
ISSN: ISSN 1545-9993
PubMed: 20357772
DOI: 10.1038/NSMB.1788
Page generated: Sun Dec 13 19:09:27 2020

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