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Chlorine in PDB 3qvq: The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate

Enzymatic activity of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate

All present enzymatic activity of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate:
3.1.4.2;

Protein crystallography data

The structure of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate, PDB code: 3qvq was solved by A.U.Singer, O.Kagan, E.Evdokimova, M.E.Cuff, A.M.Edwards, A.Joachimiak, A.F.Yakunin, A.Savchenko, Midwest Center For Structural Genomics(Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.26 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.861, 92.717, 125.240, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 20.1

Other elements in 3qvq:

The structure of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate also contains other interesting chemical elements:

Nickel (Ni) 1 atom
Magnesium (Mg) 13 atoms
Sodium (Na) 7 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Chlorine atom in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate (pdb code 3qvq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 18 binding sites of Chlorine where determined in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate, PDB code: 3qvq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in 3qvq

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Chlorine binding site 1 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl257

b:24.1
occ:1.00
 N A:GLY68 3.1 21.2 1.0
OG A:SER61 3.2 21.7 1.0
CB A:SER61 3.5 17.2 1.0
N A:SER61 3.6 14.0 1.0
CB A:TYR59 3.6 20.5 0.6
CB A:TYR59 3.6 20.5 0.4
N A:LEU60 3.7 15.8 1.0
CD2 A:TYR59 3.8 28.0 0.6
CA A:ASP67 3.8 21.5 1.0
O A:GLY68 3.9 17.6 1.0
C A:ASP67 3.9 17.2 1.0
CA A:GLY68 4.0 19.6 1.0
CG A:TYR59 4.1 23.5 0.6
CA A:SER61 4.1 16.0 1.0
CD1 A:TYR59 4.3 22.5 0.4
C A:GLY68 4.3 24.4 1.0
C A:TYR59 4.3 17.0 0.6
CA A:TYR59 4.4 18.5 0.6
CA A:TYR59 4.4 18.5 0.4
OD1 A:ASP67 4.4 36.6 1.0
C A:TYR59 4.4 17.1 0.4
CG A:TYR59 4.4 19.8 0.4
CB A:ASP67 4.4 22.6 1.0
C A:LEU60 4.5 12.8 1.0
CA A:LEU60 4.5 13.4 1.0
O A:GLY66 4.7 18.8 1.0
CB A:LEU60 4.8 14.2 1.0
CE2 A:TYR59 4.9 27.9 0.6
CG A:ASP67 4.9 32.9 1.0
N A:ASP67 4.9 18.8 1.0

Chlorine binding site 2 out of 18 in 3qvq

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Chlorine binding site 2 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl258

b:24.8
occ:1.00
 N A:GLU164 3.3 11.2 1.0
CB A:GLU164 3.4 12.7 1.0
CG A:GLU164 3.4 15.3 1.0
CD A:PRO163 3.4 12.7 1.0
CG A:PRO163 3.5 13.3 1.0
N A:PRO163 3.6 10.8 1.0
CD1 A:TRP162 3.6 14.3 1.0
CD A:GLU164 3.8 20.4 1.0
CA A:GLU164 3.9 11.9 1.0
C A:TRP162 4.1 11.4 1.0
OE2 A:GLU164 4.1 21.4 1.0
C A:PRO163 4.2 8.3 1.0
CA A:PRO163 4.3 9.9 1.0
CA A:TRP162 4.3 11.1 1.0
NE1 A:TRP162 4.3 12.8 1.0
OE1 A:GLU164 4.4 22.6 1.0
CB A:PRO163 4.4 14.0 1.0
CG A:TRP162 4.8 9.2 1.0
O A:TRP162 4.8 10.9 1.0

Chlorine binding site 3 out of 18 in 3qvq

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Chlorine binding site 3 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl259

b:16.6
occ:1.00
 O A:HOH292 3.1 10.6 1.0
O A:HOH352 3.1 13.2 1.0
N A:GLN10 3.3 8.3 1.0
CA A:PRO9 3.6 8.6 1.0
CB A:PRO9 3.8 8.4 1.0
C A:PRO9 3.9 8.3 1.0
CB A:GLN10 4.3 9.0 1.0
CG A:GLN10 4.3 11.0 1.0
CA A:GLN10 4.4 6.4 1.0
O A:HOH409 4.7 37.2 1.0
OE1 A:GLN10 4.8 13.6 1.0
NZ A:LYS38 4.9 40.2 1.0
O A:HOH572 4.9 32.9 1.0
N A:PRO9 4.9 8.7 1.0
OE1 A:GLN243 4.9 15.5 1.0

Chlorine binding site 4 out of 18 in 3qvq

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Chlorine binding site 4 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl260

b:18.4
occ:1.00
 O A:HOH573 3.0 27.3 1.0
N A:ASN218 3.1 10.2 1.0
NE2 A:GLN194 3.3 19.2 1.0
N A:ASP219 3.4 11.7 1.0
CB A:ASP219 3.6 13.8 1.0
CA A:ILE217 3.8 8.5 1.0
C A:ILE217 3.9 8.3 1.0
CA A:ASN218 4.0 9.8 1.0
O A:THR216 4.1 12.2 1.0
C A:ASN218 4.1 13.7 1.0
CA A:ASP219 4.1 13.6 1.0
CG2 A:ILE217 4.2 15.4 1.0
NA A:NA254 4.2 45.5 1.0
CD A:GLN194 4.3 19.1 1.0
CD2 A:LEU222 4.3 15.8 1.0
CB A:ASN218 4.4 11.2 1.0
OE1 A:GLN194 4.5 22.5 1.0
CB A:ILE217 4.5 13.1 1.0
CG1 A:ILE217 4.8 15.4 1.0
N A:ILE217 4.8 8.0 1.0
C A:THR216 4.9 11.6 1.0
CG A:ASP219 5.0 25.1 1.0

Chlorine binding site 5 out of 18 in 3qvq

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Chlorine binding site 5 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl261

b:50.2
occ:1.00
 O A:HOH504 2.8 32.4 1.0
N A:GLN89 3.0 22.4 1.0
CB A:GLN89 3.6 26.7 1.0
CA A:GLY88 3.8 16.8 1.0
C A:GLY88 3.9 24.2 1.0
CA A:GLN89 3.9 28.6 1.0
OE1 A:GLU90 4.1 25.9 1.0
MG A:MG252 4.3 25.1 1.0
OE1 A:GLN89 4.8 60.3 1.0
CG A:GLN89 4.9 45.8 1.0
N A:GLU90 5.0 19.1 1.0

Chlorine binding site 6 out of 18 in 3qvq

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Chlorine binding site 6 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl255

b:20.6
occ:1.00
 OG B:SER61 3.2 19.4 1.0
N B:GLY68 3.2 20.2 1.0
CB B:SER61 3.4 14.7 1.0
N B:SER61 3.4 12.7 1.0
CA B:ASP67 3.6 21.2 0.5
CA B:ASP67 3.7 21.2 0.5
CB B:TYR59 3.7 15.2 1.0
N B:LEU60 3.8 12.8 1.0
CD2 B:TYR59 3.8 27.3 1.0
CB B:ASP67 3.9 19.9 0.5
C B:ASP67 3.9 22.4 0.5
C B:ASP67 3.9 22.4 0.5
CA B:SER61 4.0 14.9 1.0
O B:GLY68 4.0 18.6 1.0
OD1 B:ASP67 4.1 26.5 0.5
CG B:TYR59 4.1 22.2 1.0
CB B:ASP67 4.2 21.9 0.5
CA B:GLY68 4.2 22.9 1.0
C B:TYR59 4.4 16.2 1.0
C B:LEU60 4.4 14.0 1.0
CA B:TYR59 4.5 17.6 1.0
CA B:LEU60 4.5 12.6 1.0
C B:GLY68 4.5 18.5 1.0
CG B:ASP67 4.6 25.7 0.5
O B:GLY66 4.7 15.1 1.0
CE2 B:TYR59 4.8 31.9 1.0
CB B:LEU60 4.8 12.9 1.0
N B:ASP67 4.9 19.1 0.5
N B:ASP67 4.9 19.1 0.5

Chlorine binding site 7 out of 18 in 3qvq

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Chlorine binding site 7 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl256

b:21.9
occ:1.00
 O B:HOH287 3.1 13.8 1.0
O B:HOH305 3.1 17.3 1.0
N B:GLN10 3.3 12.1 1.0
CA B:PRO9 3.6 10.7 1.0
CB B:PRO9 3.9 8.8 1.0
C B:PRO9 4.0 11.1 1.0
CB B:GLN10 4.3 14.5 1.0
CG B:GLN10 4.3 13.3 1.0
CA B:GLN10 4.4 12.2 1.0
OE1 B:GLN10 4.7 19.4 1.0
OE1 B:GLN243 5.0 17.2 1.0
N B:PRO9 5.0 12.8 1.0

Chlorine binding site 8 out of 18 in 3qvq

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Chlorine binding site 8 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl257

b:25.4
occ:1.00
 N B:ASN218 3.1 13.7 1.0
NE2 B:GLN194 3.4 26.5 1.0
N B:ASP219 3.4 18.6 1.0
CB B:ASP219 3.7 22.7 1.0
CA B:ILE217 3.9 10.7 1.0
CA B:ASN218 3.9 13.9 1.0
C B:ASN218 4.0 18.4 1.0
C B:ILE217 4.0 11.0 1.0
O B:THR216 4.1 15.1 1.0
CA B:ASP219 4.2 20.3 1.0
CB B:ASN218 4.2 11.0 1.0
CD2 B:LEU222 4.3 20.6 1.0
CG2 B:ILE217 4.3 15.4 1.0
CD B:GLN194 4.3 30.8 1.0
OE1 B:GLN194 4.4 31.9 1.0
CB B:ILE217 4.7 13.5 1.0
C B:THR216 4.9 15.1 1.0
N B:ILE217 4.9 10.9 1.0

Chlorine binding site 9 out of 18 in 3qvq

Go back to Chlorine Binding Sites List in 3qvq
Chlorine binding site 9 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl258

b:19.1
occ:1.00
 O B:HOH561 2.9 23.9 1.0
O B:HOH612 3.0 27.0 1.0
N B:TYR5 3.4 10.1 1.0
CA B:SER3 3.4 8.6 1.0
CB B:TYR5 3.4 9.4 1.0
C B:SER3 3.5 10.7 1.0
CD2 B:TYR5 3.7 9.4 1.0
N B:ALA4 3.8 10.8 1.0
O B:HOH445 3.8 26.5 1.0
CB B:ALA166 3.8 13.4 1.0
O B:SER3 3.9 10.1 1.0
CA B:TYR5 3.9 9.0 1.0
CG B:TYR5 4.0 10.9 1.0
CB B:SER3 4.2 9.8 1.0
C B:ALA4 4.4 8.9 1.0
CB B:ALA188 4.4 12.4 1.0
N B:SER6 4.4 11.7 1.0
N B:SER3 4.5 9.6 1.0
C B:TYR5 4.6 11.0 1.0
CA B:ALA4 4.6 11.4 1.0
OG B:SER3 4.7 12.2 1.0
O B:HOH304 4.7 15.8 1.0
CE2 B:TYR5 4.8 11.5 1.0

Chlorine binding site 10 out of 18 in 3qvq

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Chlorine binding site 10 out of 18 in the The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl259

b:24.9
occ:1.00
 O A:HOH548 2.8 17.7 1.0
N B:LEU100 3.0 8.6 1.0
O B:PRO52 3.0 11.1 1.0
N B:LEU99 3.2 9.7 1.0
CB B:LEU99 3.5 9.3 1.0
CB B:THR98 3.5 8.2 1.0
CA B:LEU99 3.7 9.8 1.0
CB B:LEU100 3.8 13.0 1.0
C B:LEU99 3.8 11.6 1.0
CG2 B:VAL134 3.8 11.4 1.0
C B:THR98 3.9 11.3 1.0
CB B:PRO52 4.0 10.6 1.0
CA B:LEU100 4.0 9.2 1.0
OG1 B:THR98 4.0 12.1 1.0
C B:PRO52 4.1 11.4 1.0
CD B:PRO52 4.1 10.1 1.0
CG1 B:VAL134 4.1 11.5 1.0
CG2 B:ILE51 4.1 12.7 1.0
CA B:THR98 4.2 9.2 1.0
N B:PRO52 4.3 11.4 1.0
CG B:PRO52 4.3 12.7 1.0
CA B:PRO52 4.4 10.9 1.0
O A:HOH614 4.5 27.1 1.0
O B:HOH567 4.5 24.6 1.0
CG2 B:THR98 4.5 13.7 1.0
CB B:VAL134 4.5 7.7 1.0
CG B:LEU99 4.5 6.8 1.0
O B:THR98 4.9 10.3 1.0
O B:LEU99 5.0 9.0 1.0
CD2 B:LEU99 5.0 9.2 1.0

Reference:

A.U.Singer, O.Kagan, E.Evdokimova, M.E.Cuff, A.M.Edwards, A.Joachimiak, A.F.Yakunin, A.Savchenko. The Structure of An Oleispira Antarctica Phosphodiesterase OLEI02445 in Complex with the Product Sn-Glycerol-3-Phosphate To Be Published.
Page generated: Sat Dec 12 10:05:40 2020

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