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Mercury in PDB 4v0n: Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury

Protein crystallography data

The structure of Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury, PDB code: 4v0n was solved by A.Mourao, E.Lorentzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 96.498 / 3.13
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 123.745, 123.745, 443.709, 90.00, 90.00, 120.00
R / Rfree (%) 21.26 / 24.9

Other elements in 4v0n:

The structure of Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Mercury Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 57;

Binding sites:

The binding sites of Mercury atom in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury (pdb code 4v0n). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 57 binding sites of Mercury where determined in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury, PDB code: 4v0n:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 57 in 4v0n

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Mercury binding site 1 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1181

b:54.3
occ:0.25
NE2 A:HIS111 2.6 50.9 1.0
OG1 B:THR421 3.2 31.7 1.0
CD2 A:HIS111 3.4 44.4 1.0
NZ A:LYS114 3.4 44.6 1.0
CE1 A:HIS111 3.6 51.1 1.0
CB B:THR421 4.0 33.0 1.0
CG2 B:THR421 4.5 34.0 1.0
CG A:HIS111 4.5 43.9 1.0
ND1 A:HIS111 4.6 49.2 1.0
CE A:LYS114 4.6 45.5 1.0
CD A:LYS114 5.0 46.8 1.0

Mercury binding site 2 out of 57 in 4v0n

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Mercury binding site 2 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1426

b:38.1
occ:0.12
O B:THR217 2.7 44.3 1.0
O B:VAL99 2.8 33.0 1.0
CA B:CYS218 3.3 41.2 1.0
CB B:ALA100 3.5 30.1 1.0
CG1 B:VAL99 3.5 36.0 1.0
C B:VAL99 3.6 35.6 1.0
C B:THR217 3.6 42.1 1.0
HG B:HG1436 3.8 51.9 0.8
CB B:CYS218 3.9 43.4 1.0
N B:CYS218 4.0 40.9 1.0
CB B:PRO56 4.0 31.0 1.0
CA B:ALA100 4.1 34.2 1.0
N B:MET219 4.2 34.7 1.0
HG B:HG1438 4.2 24.0 0.2
C B:CYS218 4.2 39.5 1.0
N B:ALA100 4.2 35.0 1.0
CG B:PRO56 4.4 32.4 1.0
CB B:VAL99 4.4 33.7 1.0
CA B:VAL99 4.5 34.6 1.0

Mercury binding site 3 out of 57 in 4v0n

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Mercury binding site 3 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1427

b:42.3
occ:0.62
HG B:HG1438 2.1 24.0 0.2
SG B:CYS57 2.3 42.5 1.0
O B:VAL99 3.1 33.0 1.0
CB B:CYS57 3.4 31.7 1.0
C B:VAL99 3.6 35.6 1.0
N B:CYS57 3.7 32.2 1.0
CB B:PRO56 3.8 31.0 1.0
CA B:CYS57 4.1 30.8 1.0
C B:PRO56 4.1 33.7 1.0
CA B:VAL99 4.1 34.6 1.0
O B:PRO98 4.2 34.5 1.0
N B:ALA100 4.3 35.0 1.0
CG B:PRO56 4.4 32.4 1.0
CA B:PRO56 4.5 31.2 1.0
O B:TYR54 4.5 34.2 1.0
CD B:PRO56 4.5 29.6 1.0
C B:PRO98 4.6 34.2 1.0
N B:VAL99 4.6 35.5 1.0
CB B:TYR54 4.7 32.8 1.0
O B:PRO56 4.7 34.5 1.0
N B:PRO56 4.7 29.4 1.0
N B:TYR54 4.7 34.7 1.0
CA B:ALA100 4.7 34.2 1.0
C B:TYR54 4.9 32.4 1.0

Mercury binding site 4 out of 57 in 4v0n

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Mercury binding site 4 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1428

b:61.8
occ:0.76
SG B:CYS321 2.6 49.2 1.0
CB B:CYS321 3.4 44.5 1.0
CB B:LEU303 3.7 51.3 1.0
O B:ALA305 3.7 48.1 1.0
CA B:CYS321 3.9 41.6 1.0
O B:GLN306 4.0 46.2 1.0
N B:PRO307 4.0 45.7 1.0
CA B:PRO307 4.0 41.0 1.0
C B:GLN306 4.1 45.4 1.0
O B:GLY320 4.1 41.7 1.0
CG1 B:VAL319 4.3 37.7 1.0
N B:CYS321 4.4 42.5 1.0
C B:ALA305 4.4 49.0 1.0
C B:GLY320 4.4 43.4 1.0
CD B:PRO307 4.6 45.2 1.0
CB B:PRO307 4.6 40.4 1.0
CB B:VAL319 4.8 33.6 1.0
CA B:GLN306 4.8 45.8 1.0
N B:GLN306 4.9 48.2 1.0

Mercury binding site 5 out of 57 in 4v0n

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Mercury binding site 5 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1429

b:64.6
occ:0.79
SG B:CYS102 2.4 45.5 1.0
CB B:CYS102 3.2 37.5 1.0
OD1 B:ASP220 3.3 50.1 1.0
CA B:CYS102 3.4 36.7 1.0
O B:ILE101 3.6 43.2 1.0
O B:MET219 3.9 46.5 1.0
N B:CYS102 4.2 34.1 1.0
CA B:ASP220 4.2 46.2 1.0
C B:ILE101 4.2 37.2 1.0
CG1 B:VAL221 4.4 45.3 1.0
CG B:ASP220 4.4 51.7 1.0
C B:CYS102 4.7 38.9 1.0
NE2 B:HIS59 4.7 51.7 1.0
CB B:ASP220 4.7 48.5 1.0
CD2 B:HIS59 4.8 44.9 1.0
C B:MET219 4.8 40.2 1.0
N B:VAL221 4.8 47.7 1.0
N B:SER103 4.9 44.4 1.0
C B:ASP220 4.9 47.6 1.0
N B:ASP220 4.9 43.4 1.0

Mercury binding site 6 out of 57 in 4v0n

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Mercury binding site 6 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1430

b:45.2
occ:0.54
HG B:HG1433 2.1 48.1 0.4
SG B:CYS234 2.5 55.8 1.0
CB B:CYS234 2.9 49.4 1.0
O B:LEU247 3.0 48.4 1.0
CD B:PRO249 3.8 45.3 1.0
CD1 B:LEU273 3.8 60.1 1.0
CG B:PRO249 4.1 51.3 1.0
N B:PRO249 4.1 40.7 1.0
C B:LEU247 4.2 48.4 1.0
C B:ASN248 4.2 45.0 1.0
CA B:CYS234 4.4 52.2 1.0
CA B:ASN248 4.5 47.5 1.0
HG B:HG1432 4.6 69.4 0.1
O B:ASN248 4.7 50.3 1.0
CA B:PRO249 4.7 50.9 1.0
N B:ASN248 4.8 49.1 1.0
CG2 B:ILE246 4.9 42.6 1.0

Mercury binding site 7 out of 57 in 4v0n

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Mercury binding site 7 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1431

b:43.0
occ:0.46
HG B:HG1434 2.3 45.4 0.2
SG B:CYS61 2.6 47.7 1.0
OG B:SER103 3.3 48.3 1.0
CB B:CYS61 3.4 38.5 1.0
CA B:CYS61 3.6 38.4 1.0
CB B:PRO114 3.6 57.1 1.0
N B:ASN62 3.7 45.2 1.0
CG B:PRO114 3.8 51.3 1.0
CB B:SER103 4.2 43.5 1.0
C B:CYS61 4.2 43.9 1.0
O B:THR60 4.5 38.5 1.0
HG B:HG1435 4.5 40.8 0.1
O B:SER103 4.7 50.9 1.0
N B:CYS61 4.8 36.5 1.0
CE1 B:HIS59 4.9 49.0 1.0
CA B:ASN62 4.9 46.1 1.0

Mercury binding site 8 out of 57 in 4v0n

Go back to Mercury Binding Sites List in 4v0n
Mercury binding site 8 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1432

b:69.4
occ:0.15
CB B:GLN224 2.7 63.2 1.0
CG1 B:VAL232 3.2 59.4 1.0
CG B:PRO249 3.7 51.3 1.0
SG B:CYS234 4.1 55.8 1.0
CA B:GLN224 4.1 63.5 1.0
CB B:VAL232 4.5 70.7 1.0
HG B:HG1430 4.6 45.2 0.5
CB B:PRO249 4.7 49.2 1.0
C B:GLN224 4.7 64.1 1.0
CD B:PRO249 4.9 45.3 1.0

Mercury binding site 9 out of 57 in 4v0n

Go back to Mercury Binding Sites List in 4v0n
Mercury binding site 9 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1433

b:48.1
occ:0.38
HG B:HG1430 2.1 45.2 0.5
O B:LEU247 3.0 48.4 1.0
C B:LEU247 3.9 48.4 1.0
CG2 B:ILE246 3.9 42.6 1.0
CB B:VAL255 4.1 43.9 1.0
CD1 B:LEU273 4.1 60.1 1.0
CG2 B:VAL255 4.1 44.1 1.0
CG1 B:VAL255 4.4 44.0 1.0
CB B:CYS234 4.4 49.4 1.0
N B:LEU247 4.5 43.7 1.0
CB B:ILE246 4.5 46.6 1.0
SG B:CYS234 4.5 55.8 1.0
C B:ILE246 4.6 44.5 1.0
O B:ILE246 4.6 43.3 1.0
N B:ASN248 4.6 49.1 1.0
CA B:LEU247 4.7 43.7 1.0
CA B:ASN248 4.8 47.5 1.0
CD2 B:LEU273 4.9 53.2 1.0

Mercury binding site 10 out of 57 in 4v0n

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Mercury binding site 10 out of 57 in the Crystal Structure of BBS1N in Complex with ARL6DN, Soaked with Mercury


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 BBS1N in Complex with ARL6DN, Soaked with Mercury within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1434

b:45.4
occ:0.21
HG B:HG1431 2.3 43.0 0.5
O B:SER103 3.0 50.9 1.0
OG B:SER103 3.3 48.3 1.0
C B:SER103 3.5 46.6 1.0
CB B:PRO114 3.8 57.1 1.0
CB B:SER103 3.9 43.5 1.0
N B:TYR104 4.0 51.9 1.0
CA B:TYR104 4.3 56.9 1.0
CA B:SER103 4.3 43.6 1.0
CG B:PRO114 4.5 51.3 1.0
SG B:CYS61 4.6 47.7 1.0
C B:TYR104 4.6 58.2 1.0
O B:TYR104 4.7 54.5 1.0
CA B:PRO114 4.8 56.1 1.0
CG2 B:ILE105 5.0 58.3 1.0

Reference:

A.Mourao, A.R.Nager, M.V.Nachury, E.Lorentzen. Structural Basis For Membrane Targeting of the Bbsome By ARL6 Nat.Struct.Mol.Biol. 2014.
ISSN: ESSN 1545-9985
DOI: 10.1038/NSMB.2920
Page generated: Sun Dec 13 19:12:04 2020

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