Chlorine in PDB 8oje: Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate

All present enzymatic activity of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate:
4.1.1.31;

The structure of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate, PDB code: 8oje was solved by S.Haesaerts, R.Loris, P.B.Larsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.93 / 3.14
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	116.08, 352.2, 176.04, 90, 101.84, 90
R / Rfree (%)	20.2 / 24

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Chlorine atom in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate (pdb code 8oje). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 23 binding sites of Chlorine where determined in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate, PDB code: 8oje:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1009 b:66.8 occ:1.00 N A:ASN661 2.9 95.7 1.0 CA A:ASP658 3.4 91.6 1.0 N A:ILE660 3.4 80.5 1.0 ND1 A:HIS697 3.5 65.3 1.0 CE1 A:HIS697 3.5 65.5 1.0 N A:ASP658 3.5 85.7 1.0 CB A:ILE660 3.6 75.4 1.0 CA A:ASN661 3.7 103.3 1.0 CA A:ILE660 3.8 81.6 1.0 C A:ILE660 3.8 85.5 1.0 C A:ASP658 3.9 84.2 1.0 N A:THR659 3.9 83.5 1.0 OD1 A:ASP658 4.1 129.3 1.0 CA A:GLY698 4.2 72.8 1.0 O A:HIS697 4.3 64.2 1.0 CB A:ASN661 4.4 111.0 1.0 C A:THR659 4.5 75.0 1.0 CG1 A:ILE660 4.5 67.5 1.0 CG2 A:ILE660 4.6 77.8 1.0 CB A:ASP658 4.6 104.8 1.0 N A:GLY698 4.8 70.2 1.0 O A:ASP658 4.8 83.3 1.0 NE2 A:HIS697 4.8 63.1 1.0 C A:PRO657 4.8 80.6 1.0 C A:HIS697 4.8 64.5 1.0 CG A:HIS697 4.8 62.2 1.0 CG A:ASP658 4.8 123.0 1.0 CA A:THR659 4.9 79.4 1.0 C A:ASN661 5.0 92.8 1.0 OD1 A:ASN661 5.0 124.0 1.0

Chlorine binding site 2 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1010 b:81.8 occ:1.00 NH2 A:ARG238 3.5 118.5 1.0 CG A:GLN234 3.7 91.5 1.0 CB A:GLN234 3.9 92.7 1.0 CZ A:ARG238 4.2 115.9 1.0 NH1 A:ARG238 4.3 114.3 1.0 CD1 A:LEU389 4.4 89.6 1.0 OD2 A:ASP302 4.5 93.1 1.0 CD A:GLN234 4.5 93.7 1.0 NE2 A:GLN234 4.5 87.2 1.0 CD1 A:LEU306 4.7 85.7 1.0 CG A:ASP302 4.9 94.5 1.0 CD2 A:LEU389 4.9 96.2 1.0

Chlorine binding site 3 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1005 b:63.5 occ:1.00 N B:ASN661 3.2 85.0 1.0 CA B:ASP658 3.2 81.1 1.0 N B:ASP658 3.3 78.8 1.0 CE1 B:HIS697 3.3 59.9 1.0 ND1 B:HIS697 3.4 60.9 1.0 N B:ILE660 3.5 71.8 1.0 N B:THR659 3.7 75.1 1.0 C B:ASP658 3.7 77.7 1.0 CB B:ILE660 3.8 64.2 1.0 CA B:ILE660 4.0 73.2 1.0 CA B:ASN661 4.0 89.0 1.0 OD1 B:ASP658 4.0 102.7 1.0 C B:ILE660 4.1 79.1 1.0 CA B:GLY698 4.3 73.6 1.0 O B:HIS697 4.4 65.3 1.0 C B:THR659 4.5 73.5 1.0 CB B:ASP658 4.5 87.3 1.0 C B:PRO657 4.5 66.5 1.0 NE2 B:HIS697 4.6 59.0 1.0 O B:ASP658 4.7 74.7 1.0 CA B:THR659 4.7 74.4 1.0 CG1 B:ILE660 4.7 56.1 1.0 CG2 B:ILE660 4.7 67.2 1.0 CG B:ASP658 4.8 97.3 1.0 CG B:HIS697 4.8 63.6 1.0 CB B:ASN661 4.8 93.6 1.0 N B:GLY698 4.8 66.7 1.0 C B:HIS697 4.8 64.1 1.0

Chlorine binding site 4 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1006 b:126.0 occ:1.00 NH2 B:ARG238 3.5 116.1 1.0 CG B:GLN234 3.7 94.7 1.0 CB B:GLN234 4.0 95.4 1.0 CZ B:ARG238 4.3 114.7 1.0 NH1 B:ARG238 4.3 112.4 1.0 NE2 B:GLN234 4.3 91.7 1.0 CD B:GLN234 4.4 95.1 1.0 OD2 B:ASP302 4.4 88.2 1.0 CD1 B:LEU389 4.7 86.0 1.0 CD2 B:LEU389 4.8 75.3 1.0 CG B:ASP302 4.9 82.4 1.0 CD1 B:LEU306 4.9 75.6 1.0

Chlorine binding site 5 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1007 b:71.8 occ:1.00 N B:LEU876 3.3 85.9 1.0 NZ B:LYS884 3.7 88.5 1.0 CB B:LEU876 3.7 81.1 1.0 NZ B:LYS864 3.7 97.6 1.0 CG B:LEU876 3.9 77.1 1.0 CA B:ASP875 4.1 101.6 1.0 CA B:LEU876 4.1 82.1 1.0 C B:ASP875 4.2 92.5 1.0 CB B:ASP875 4.2 109.9 1.0 OD1 B:ASP875 4.2 121.4 1.0 CD1 B:LEU876 4.4 69.8 1.0 CG B:ASP875 4.6 116.0 1.0 CE B:LYS864 4.6 92.2 1.0 CE B:LYS884 4.7 79.5 1.0

Chlorine binding site 6 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1008 b:68.0 occ:1.00 NH1 B:ARG384 3.0 94.8 1.0 CD B:PRO521 4.2 86.0 1.0 CD1 B:ILE403 4.2 100.8 1.0 CG B:PRO521 4.2 88.8 1.0 CD1 B:LEU388 4.2 82.7 1.0 CZ B:ARG384 4.3 90.5 1.0 NH2 B:ARG384 4.9 89.8 1.0

Chlorine binding site 7 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1008 b:53.6 occ:1.00 CE1 C:HIS697 3.2 52.9 1.0 N C:ASN661 3.2 76.8 1.0 CA C:ASP658 3.3 74.3 1.0 ND1 C:HIS697 3.3 50.7 1.0 N C:ASP658 3.4 69.4 1.0 N C:ILE660 3.4 67.9 1.0 CB C:ILE660 3.8 60.0 1.0 C C:ASP658 3.8 69.0 1.0 N C:THR659 3.8 66.8 1.0 CA C:ILE660 3.9 65.5 1.0 C C:ILE660 4.1 71.8 1.0 CA C:ASN661 4.1 84.6 1.0 OD1 C:ASP658 4.1 93.1 1.0 O C:HIS697 4.3 54.9 1.0 CA C:GLY698 4.3 61.0 1.0 C C:THR659 4.5 71.2 1.0 NE2 C:HIS697 4.5 49.7 1.0 CB C:ASP658 4.6 80.2 1.0 CG1 C:ILE660 4.6 54.1 1.0 C C:PRO657 4.6 59.3 1.0 CG C:HIS697 4.7 49.3 1.0 O C:ASP658 4.7 67.1 1.0 CA C:THR659 4.7 65.7 1.0 CG2 C:ILE660 4.7 66.5 1.0 C C:HIS697 4.8 55.6 1.0 N C:GLY698 4.8 55.8 1.0 CG C:ASP658 4.8 90.9 1.0 CB C:ASN661 4.9 88.9 1.0

Chlorine binding site 8 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1009 b:233.4 occ:1.00 NH2 C:ARG238 3.0 124.8 1.0 CG C:GLN234 3.8 92.5 1.0 CZ C:ARG238 3.9 117.9 1.0 CB C:GLN234 4.0 100.8 1.0 NH1 C:ARG238 4.2 124.3 1.0 CD1 C:LEU306 4.4 82.2 1.0 OD2 C:ASP302 4.4 82.5 1.0 CD C:GLN234 4.5 92.8 1.0 CD1 C:LEU389 4.6 80.1 1.0 NE2 C:GLN234 4.6 93.3 1.0 CG C:ASP302 4.8 76.8 1.0 CD2 C:LEU389 4.8 67.2 1.0 CB C:ASP302 4.9 72.3 1.0 CB D:LYS359 5.0 98.8 1.0

Chlorine binding site 9 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1010 b:64.6 occ:1.00 O C:TYR197 3.9 87.2 1.0 CB C:TYR115 4.2 53.4 1.0 CG C:TYR115 4.3 50.0 1.0 OH C:TYR33 4.4 57.1 1.0 O C:ALA194 4.5 56.7 1.0 CD1 C:TYR115 4.5 47.0 1.0 CB C:TYR197 4.5 53.8 1.0 C C:TYR197 4.6 74.8 1.0 CD2 C:TYR115 5.0 53.1 1.0

Chlorine binding site 10 out of 23 in the Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Arabidopsis Thaliana Phosphoenolpyruvate Carboxylase PPC1 in Complex with L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1011 b:71.0 occ:1.00 NH1 C:ARG384 3.2 86.1 1.0 CD C:PRO521 4.1 68.9 1.0 CD1 C:LEU388 4.2 83.4 1.0 CG C:PRO521 4.2 79.8 1.0 CD1 C:ILE403 4.3 79.5 1.0 CZ C:ARG384 4.4 87.8 1.0 O C:GLU519 5.0 86.8 1.0

T.J.Meyer, J.Sheng, S.Haesaerts, K.Frausto, S.O'leary, R.Loris, P.B.Larsen. Amino Acid Changes That Deregulate Phosphoenolpyruvate Carboxylase in Plants To Be Published.