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Mercury in PDB 4qnn: Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom

Protein crystallography data

The structure of Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom, PDB code: 4qnn was solved by C.Y.Chuang, T.P.Ko, A.H.J.Wang, M.H.Hou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 57.276, 70.147, 81.724, 107.14, 109.99, 100.90
R / Rfree (%) 20.4 / 27.9

Other elements in 4qnn:

The structure of Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom also contains other interesting chemical elements:

Chlorine (Cl) 24 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom (pdb code 4qnn). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom, PDB code: 4qnn:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in 4qnn

Go back to Mercury Binding Sites List in 4qnn
Mercury binding site 1 out of 3 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


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 Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg406

b:61.5
occ:0.50
O A:HOH577 2.9 17.9 1.0
O A:LYS241 3.2 35.3 1.0
CL B:CL402 3.4 19.5 1.0
CL A:CL401 3.4 26.2 1.0
O C:HOH677 3.4 44.6 1.0
O B:HOH541 3.4 10.5 1.0
O C:HOH645 3.5 27.9 1.0
O C:HOH642 3.5 28.6 1.0
CA A:HIS242 3.8 36.3 1.0
C A:LYS241 3.9 36.6 1.0
N A:HIS242 4.1 36.6 1.0
CA A:LYS241 5.0 36.1 1.0

Mercury binding site 2 out of 3 in 4qnn

Go back to Mercury Binding Sites List in 4qnn
Mercury binding site 2 out of 3 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


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 Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg413

b:62.5
occ:0.50
ND2 B:ASN272 2.7 29.8 1.0
CL B:CL402 3.0 19.5 1.0
CL A:CL402 3.1 25.2 1.0
CL B:CL407 3.2 33.1 1.0
OE1 B:GLU243 3.3 46.4 1.0
CG B:ASN272 3.6 29.7 1.0
OD1 B:ASN272 3.6 30.8 1.0
O B:HOH569 3.9 46.1 1.0
NZ B:LYS72 4.0 56.5 1.0
O A:HOH577 4.2 17.9 1.0
NZ A:LYS298 4.4 44.0 1.0
CD B:GLU243 4.4 46.4 1.0
CL A:CL401 4.7 26.2 1.0
O B:HOH515 4.8 32.2 1.0
CB B:ASN272 4.9 28.8 1.0
OE2 B:GLU243 5.0 47.9 1.0

Mercury binding site 3 out of 3 in 4qnn

Go back to Mercury Binding Sites List in 4qnn
Mercury binding site 3 out of 3 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


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 Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg505

b:70.2
occ:0.50
CL C:CL504 3.1 37.5 1.0
CL C:CL501 3.1 23.0 1.0
CL C:CL502 3.2 27.4 1.0
CA C:HIS242 3.6 37.2 1.0
O C:LYS241 4.1 37.2 1.0
O D:HOH547 4.3 20.5 1.0
N C:HIS242 4.3 36.9 1.0
C C:LYS241 4.5 36.4 1.0
C C:HIS242 4.8 38.1 1.0

Reference:

C.Y.Chuang, T.P.Ko, A.H.J.Wang, M.H.Hou. Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom To Be Published.
Page generated: Sun Dec 13 19:11:53 2020

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