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

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

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

Mercury

(Hg)

3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 24 binding sites of Chlorine where determined in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom, PDB code: 4qnn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl401 b:26.2 occ:1.00 CL B:CL402 3.0 19.5 1.0 O B:HOH541 3.2 10.5 1.0 O A:HOH577 3.3 17.9 1.0 HG A:HG406 3.4 61.5 0.5 O A:LYS241 3.4 35.3 1.0 O A:HOH578 3.5 48.1 1.0 C A:LYS241 4.6 36.6 1.0 HG B:HG413 4.7 62.5 0.5

Chlorine binding site 2 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 A:Cl402 b:25.2 occ:1.00 NZ A:LYS298 2.4 44.0 1.0 O A:HOH577 2.6 17.9 1.0 CL B:CL407 2.8 33.1 1.0 CE A:LYS298 3.0 49.4 1.0 CL B:CL402 3.0 19.5 1.0 HG B:HG413 3.1 62.5 0.5 CD A:LYS298 4.5 49.3 1.0

Chlorine binding site 3 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 A:Cl403 b:31.1 occ:1.00 O C:HOH676 2.6 35.3 1.0 OE1 A:GLU238 3.0 38.4 1.0 O A:HOH513 3.0 20.7 1.0 CL A:CL404 3.3 48.1 1.0 O A:HOH532 3.3 37.3 1.0 CD A:LYS241 3.6 42.0 1.0 O C:HOH642 3.6 28.6 1.0 CD A:GLU238 3.9 37.6 1.0 OE2 A:GLU238 4.0 40.5 1.0 CE A:LYS241 4.1 44.2 1.0 CL A:CL405 4.3 56.3 1.0 CB A:PRO291 4.4 36.8 1.0 CB A:LYS241 4.6 38.1 1.0 NZ A:LYS241 4.6 43.8 1.0 CG A:LYS241 4.6 40.4 1.0 O C:HOH649 4.9 40.8 1.0

Chlorine binding site 4 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:48.1 occ:1.00 O C:HOH676 2.6 35.3 1.0 CL A:CL403 3.3 31.1 1.0 O A:HOH513 3.4 20.7 1.0 O C:HOH647 3.6 17.0 1.0 O C:HOH649 3.6 40.8 1.0 O A:HOH532 3.7 37.3 1.0 CL A:CL405 3.9 56.3 1.0 CE A:LYS241 4.3 44.2 1.0 NZ A:LYS241 4.3 43.8 1.0 O C:HOH642 4.4 28.6 1.0 O C:HOH613 4.7 13.2 1.0 O C:HOH694 4.7 40.4 1.0 CD A:LYS241 4.9 42.0 1.0

Chlorine binding site 5 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:56.3 occ:1.00 O C:HOH649 3.5 40.8 1.0 O C:HOH642 3.5 28.6 1.0 O C:HOH641 3.6 25.2 1.0 O C:HOH694 3.8 40.4 1.0 O C:HOH647 3.8 17.0 1.0 O C:HOH643 3.8 6.9 1.0 O C:HOH644 3.8 12.7 1.0 CL B:CL405 3.9 31.1 1.0 CL A:CL404 3.9 48.1 1.0 O C:HOH640 4.0 12.4 1.0 O C:HOH639 4.1 12.5 1.0 O C:HOH645 4.2 27.9 1.0 CL A:CL403 4.3 31.1 1.0 O C:HOH676 4.5 35.3 1.0

Chlorine binding site 6 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:22.6 occ:1.00 O C:HOH682 2.2 17.6 1.0 O B:LYS241 2.9 35.4 1.0 CL B:CL405 3.1 31.1 1.0 O C:HOH643 3.4 6.9 1.0 CA B:HIS242 3.5 38.7 1.0 C B:LYS241 3.6 36.4 1.0 N B:HIS242 3.9 38.1 1.0 O D:HOH544 4.3 25.0 1.0 CL B:CL412 4.6 44.0 1.0 O C:HOH694 4.7 40.4 1.0 CA B:LYS241 4.8 35.9 1.0 C B:HIS242 4.8 38.4 1.0 CL B:CL409 4.9 36.5 1.0

Chlorine binding site 7 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:19.5 occ:1.00 O A:HOH577 2.2 17.9 1.0 CL B:CL407 3.0 33.1 1.0 CL A:CL402 3.0 25.2 1.0 CL A:CL401 3.0 26.2 1.0 HG B:HG413 3.0 62.5 0.5 HG A:HG406 3.4 61.5 0.5 O B:HOH541 3.4 10.5 1.0 NZ B:LYS72 4.3 56.5 1.0 O B:HOH569 4.4 46.1 1.0 OE1 B:GLU243 4.7 46.4 1.0 O C:HOH645 4.7 27.9 1.0 CE B:LYS72 4.7 58.1 1.0 O C:HOH604 5.0 13.8 1.0

Chlorine binding site 8 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:28.2 occ:1.00 NZ B:LYS241 2.6 43.8 1.0 OE2 B:GLU238 2.7 38.5 1.0 CL B:CL410 3.0 39.7 1.0 O D:HOH542 3.2 7.9 1.0 CL B:CL404 3.3 28.7 1.0 CE B:LYS241 3.5 44.9 1.0 CD B:LYS241 3.5 42.4 1.0 CD B:GLU238 3.5 36.5 1.0 OE1 B:GLU238 3.7 38.9 1.0 O B:HOH511 4.0 33.5 1.0 O B:HOH527 4.3 19.9 1.0 O D:HOH543 4.6 31.3 1.0 CG2 B:THR237 4.8 28.5 1.0 O B:HOH526 4.9 31.9 1.0 CG B:GLU238 4.9 35.4 1.0

Chlorine binding site 9 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:28.7 occ:1.00 CL B:CL410 2.9 39.7 1.0 CD B:LYS241 3.0 42.4 1.0 OE1 B:GLU238 3.1 38.9 1.0 O D:HOH542 3.2 7.9 1.0 CL B:CL403 3.3 28.2 1.0 O D:HOH544 3.4 25.0 1.0 O D:HOH543 3.7 31.3 1.0 CE B:LYS241 3.9 44.9 1.0 CD B:GLU238 4.0 36.5 1.0 CG B:LYS241 4.1 40.1 1.0 CB B:LYS241 4.1 36.9 1.0 OE2 B:GLU238 4.2 38.5 1.0 NZ B:LYS241 4.3 43.8 1.0 CL B:CL408 4.3 32.5 1.0

Chlorine binding site 10 out of 24 in the Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Phospholipase A 1 From Hornet(Vespa Basalis) Venom within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:31.1 occ:1.00 O C:HOH682 2.9 17.6 1.0 O C:HOH694 3.0 40.4 1.0 O C:HOH643 3.1 6.9 1.0 CL B:CL401 3.1 22.6 1.0 O C:HOH645 3.6 27.9 1.0 O C:HOH644 3.6 12.7 1.0 O C:HOH604 3.7 13.8 1.0 CL A:CL405 3.9 56.3 1.0 O B:LYS241 4.0 35.4 1.0 CL B:CL412 4.2 44.0 1.0 O B:HOH541 4.3 10.5 1.0 O C:HOH642 4.4 28.6 1.0

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.