Chlorine in PDB 6z2c: Engineered Lipocalin C3A5 in Complex with A Transition State Analog

The structure of Engineered Lipocalin C3A5 in Complex with A Transition State Analog, PDB code: 6z2c was solved by A.Skerra, A.Eichinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.74 / 1.80
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.385, 39.034, 96.385, 90, 120, 90
R / Rfree (%)	16.1 / 19

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog (pdb code 6z2c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 18 binding sites of Chlorine where determined in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog, PDB code: 6z2c:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.5 occ:1.00 CL2 A:Q5E201 0.0 12.5 1.0 CAJ A:Q5E201 1.9 12.4 1.0 CL1 A:Q5E201 2.9 14.7 1.0 CAD A:Q5E201 2.9 14.9 1.0 CAA A:Q5E201 2.9 13.5 1.0 CAC A:Q5E201 3.2 13.6 1.0 CAB A:Q5E201 3.2 12.1 1.0 CD2 A:PHE123 3.4 15.8 1.0 CL6 A:Q5E201 3.5 14.8 1.0 CE2 A:PHE123 3.5 15.5 1.0 CL3 A:Q5E201 3.5 12.5 1.0 CG A:PHE123 3.7 15.9 1.0 CZ A:PHE123 3.9 15.5 1.0 CZ3 A:TRP68 3.9 16.6 1.0 CAE A:Q5E201 4.0 12.9 1.0 CAF A:Q5E201 4.1 15.2 1.0 CD1 A:PHE123 4.1 16.0 1.0 CH2 A:TRP68 4.1 16.5 1.0 CE1 A:PHE123 4.2 15.6 1.0 CE A:MET36 4.4 19.1 1.0 CE A:MET51 4.5 14.6 1.0 CB A:PHE123 4.5 16.2 1.0 CAO A:Q5E201 4.6 13.5 1.0 CAN A:Q5E201 4.6 11.7 1.0 OG1 A:THR136 4.6 12.8 1.0 CE3 A:TRP68 4.7 16.8 1.0

Chlorine binding site 2 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.7 occ:1.00 CL1 A:Q5E201 0.0 14.7 1.0 CAJ A:Q5E201 1.9 12.4 1.0 CAA A:Q5E201 2.8 13.5 1.0 CAD A:Q5E201 2.9 14.9 1.0 CL2 A:Q5E201 2.9 12.5 1.0 CAF A:Q5E201 3.0 15.2 1.0 CAE A:Q5E201 3.1 12.9 1.0 CL3 A:Q5E201 3.4 12.5 1.0 CD1 A:TYR134 3.4 14.3 1.0 CL6 A:Q5E201 3.4 14.8 1.0 CG A:TYR134 3.6 14.2 1.0 CE1 A:TYR134 3.8 14.7 1.0 CB A:TYR134 4.1 13.9 1.0 CAB A:Q5E201 4.1 12.1 1.0 CAC A:Q5E201 4.2 13.6 1.0 CD2 A:TYR134 4.2 14.4 1.0 CL4 A:Q5E201 4.2 18.2 1.0 CE A:MET36 4.2 19.1 1.0 CL5 A:Q5E201 4.3 20.7 1.0 CB A:PRO48 4.3 18.5 1.0 CZ A:TYR134 4.4 14.9 1.0 CE2 A:TYR134 4.5 14.7 1.0 CG A:PRO48 4.8 19.0 1.0 CB A:PHE123 4.9 16.2 1.0

Chlorine binding site 3 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.8 occ:1.00 CL6 A:Q5E201 0.0 14.8 1.0 CAD A:Q5E201 1.8 14.9 1.0 CAJ A:Q5E201 2.8 12.4 1.0 CAE A:Q5E201 2.8 12.9 1.0 CAC A:Q5E201 2.9 13.6 1.0 CL5 A:Q5E201 3.3 20.7 1.0 CL1 A:Q5E201 3.4 14.7 1.0 CD1 A:LEU106 3.5 19.4 1.0 CL2 A:Q5E201 3.5 12.5 1.0 CAO A:Q5E201 3.6 13.5 1.0 OAQ A:Q5E201 3.6 14.9 1.0 CAF A:Q5E201 3.9 15.2 1.0 CAA A:Q5E201 3.9 13.5 1.0 CB A:PHE123 4.0 16.2 1.0 CAB A:Q5E201 4.0 12.1 1.0 CG A:PHE123 4.1 15.9 1.0 CD1 A:PHE123 4.2 16.0 1.0 CD2 A:LEU106 4.3 19.3 1.0 CG A:LEU106 4.5 19.5 1.0 NAP A:Q5E201 4.7 14.5 1.0 CD2 A:PHE123 4.9 15.8 1.0 CE1 A:PHE123 4.9 15.6 1.0 CAN A:Q5E201 4.9 11.7 1.0

Chlorine binding site 4 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.7 occ:1.00 CL5 A:Q5E201 0.0 20.7 1.0 CAE A:Q5E201 1.7 12.9 1.0 CAF A:Q5E201 2.8 15.2 1.0 CAD A:Q5E201 2.8 14.9 1.0 CL6 A:Q5E201 3.3 14.8 1.0 CL4 A:Q5E201 3.4 18.2 1.0 CAO A:Q5E201 3.6 13.5 1.0 OAQ A:Q5E201 3.7 14.9 1.0 CAC A:Q5E201 3.7 13.6 1.0 CAJ A:Q5E201 3.9 12.4 1.0 CAA A:Q5E201 3.9 13.5 1.0 CAU A:Q5E201 4.0 18.0 1.0 NAP A:Q5E201 4.0 14.5 1.0 CAT A:Q5E201 4.2 16.9 1.0 CL1 A:Q5E201 4.3 14.7 1.0 CAB A:Q5E201 4.3 12.1 1.0 CAN A:Q5E201 4.4 11.7 1.0 CAS A:Q5E201 4.7 16.2 1.0 CAW A:Q5E201 4.7 25.8 1.0

Chlorine binding site 5 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.2 occ:1.00 CL4 A:Q5E201 0.0 18.2 1.0 CAF A:Q5E201 1.7 15.2 1.0 CAE A:Q5E201 2.7 12.9 1.0 CAA A:Q5E201 2.9 13.5 1.0 CL5 A:Q5E201 3.4 20.7 1.0 CL3 A:Q5E201 3.4 12.5 1.0 CAU A:Q5E201 3.6 18.0 1.0 CAN A:Q5E201 3.6 11.7 1.0 OAR A:Q5E201 3.7 13.0 1.0 CAB A:Q5E201 3.8 12.1 1.0 CZ2 A:TRP70 3.8 21.3 1.0 CAJ A:Q5E201 3.9 12.4 1.0 CAD A:Q5E201 3.9 14.9 1.0 NAP A:Q5E201 4.2 14.5 1.0 CL1 A:Q5E201 4.2 14.7 1.0 CA A:PRO48 4.3 18.5 1.0 CG A:PRO48 4.4 19.0 1.0 CAC A:Q5E201 4.5 13.6 1.0 CB A:PRO48 4.5 18.5 1.0 CAV A:Q5E201 4.5 21.5 1.0 CAO A:Q5E201 4.6 13.5 1.0 CH2 A:TRP70 4.6 22.2 1.0 N A:PRO48 4.7 19.5 1.0 CAT A:Q5E201 4.7 16.9 1.0 CE2 A:TRP70 4.7 21.3 1.0 CAS A:Q5E201 4.9 16.2 1.0 NE1 A:TRP70 4.9 20.9 1.0 CD A:PRO48 5.0 19.4 1.0 CAW A:Q5E201 5.0 25.8 1.0

Chlorine binding site 6 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.5 occ:1.00 CL3 A:Q5E201 0.0 12.5 1.0 CAA A:Q5E201 1.8 13.5 1.0 CAF A:Q5E201 2.8 15.2 1.0 CAJ A:Q5E201 2.8 12.4 1.0 CAB A:Q5E201 2.9 12.1 1.0 CL1 A:Q5E201 3.4 14.7 1.0 O A:PRO48 3.4 17.5 1.0 CL4 A:Q5E201 3.4 18.2 1.0 CL2 A:Q5E201 3.5 12.5 1.0 OAR A:Q5E201 3.5 13.0 1.0 CAN A:Q5E201 3.6 11.7 1.0 CB A:MET51 3.6 15.5 1.0 CA A:PRO48 3.7 18.5 1.0 CE A:MET36 3.7 19.1 1.0 CAE A:Q5E201 3.9 12.9 1.0 CAD A:Q5E201 3.9 14.9 1.0 CG A:MET51 3.9 15.2 1.0 CB A:PRO48 4.0 18.5 1.0 C A:PRO48 4.0 17.9 1.0 CAC A:Q5E201 4.1 13.6 1.0 CE A:MET51 4.2 14.6 1.0 NAP A:Q5E201 4.8 14.5 1.0 NE1 A:TRP70 4.8 20.9 1.0 SD A:MET51 4.9 14.8 1.0 N A:PRO48 4.9 19.5 1.0 CG A:PRO48 4.9 19.0 1.0

Chlorine binding site 7 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:12.0 occ:1.00 CL2 B:Q5E201 0.0 12.0 1.0 CAJ B:Q5E201 1.9 11.0 1.0 CAD B:Q5E201 2.9 14.6 1.0 CL1 B:Q5E201 2.9 13.3 1.0 CAA B:Q5E201 3.0 13.0 1.0 CAC B:Q5E201 3.2 12.6 1.0 CAB B:Q5E201 3.2 11.1 1.0 CD2 B:PHE123 3.5 15.2 1.0 CE2 B:PHE123 3.5 15.0 1.0 CL3 B:Q5E201 3.5 9.6 1.0 CL6 B:Q5E201 3.6 16.5 1.0 CG B:PHE123 3.9 15.3 1.0 CZ B:PHE123 3.9 15.2 1.0 CZ3 B:TRP68 3.9 15.9 1.0 CAE B:Q5E201 4.0 13.3 1.0 CAF B:Q5E201 4.1 14.4 1.0 CH2 B:TRP68 4.2 16.0 1.0 CD1 B:PHE123 4.2 15.5 1.0 CE1 B:PHE123 4.2 15.4 1.0 CE B:MET36 4.3 13.8 1.0 OG1 B:THR136 4.4 12.2 1.0 CE B:MET51 4.5 13.9 1.0 CAN B:Q5E201 4.6 10.2 1.0 CAO B:Q5E201 4.6 12.2 1.0 CB B:PHE123 4.6 15.6 1.0 CE3 B:TRP68 4.8 16.2 1.0 CB B:TYR134 4.9 13.9 1.0

Chlorine binding site 8 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:13.3 occ:1.00 CL1 B:Q5E201 0.0 13.3 1.0 CAJ B:Q5E201 1.9 11.0 1.0 CAD B:Q5E201 2.8 14.6 1.0 CAA B:Q5E201 2.8 13.0 1.0 CL2 B:Q5E201 2.9 12.0 1.0 CAE B:Q5E201 3.0 13.3 1.0 CAF B:Q5E201 3.0 14.4 1.0 CL3 B:Q5E201 3.4 9.6 1.0 CD1 B:TYR134 3.4 14.6 1.0 CL6 B:Q5E201 3.4 16.5 1.0 CG B:TYR134 3.5 14.3 1.0 CE1 B:TYR134 3.8 15.0 1.0 CB B:TYR134 4.0 13.9 1.0 CD2 B:TYR134 4.0 14.6 1.0 CAB B:Q5E201 4.1 11.1 1.0 CAC B:Q5E201 4.1 12.6 1.0 CE B:MET36 4.2 13.8 1.0 CL4 B:Q5E201 4.2 21.3 1.0 CL5 B:Q5E201 4.2 24.8 1.0 CZ B:TYR134 4.3 15.2 1.0 CB B:PRO48 4.3 18.4 1.0 CE2 B:TYR134 4.3 15.0 1.0 CG B:PRO48 4.7 19.0 1.0

Chlorine binding site 9 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:16.5 occ:1.00 CL6 B:Q5E201 0.0 16.5 1.0 CAD B:Q5E201 1.8 14.6 1.0 CAE B:Q5E201 2.7 13.3 1.0 CAJ B:Q5E201 2.8 11.0 1.0 CAC B:Q5E201 2.8 12.6 1.0 CL5 B:Q5E201 3.2 24.8 1.0 CL1 B:Q5E201 3.4 13.3 1.0 OAQ B:Q5E201 3.5 11.7 1.0 CAO B:Q5E201 3.5 12.2 1.0 CL2 B:Q5E201 3.6 12.0 1.0 CD1 B:LEU106 3.6 17.9 1.0 CAF B:Q5E201 3.9 14.4 1.0 CAA B:Q5E201 3.9 13.0 1.0 CAB B:Q5E201 4.0 11.1 1.0 CB B:PHE123 4.1 15.6 1.0 CG B:PHE123 4.3 15.3 1.0 CD1 B:PHE123 4.3 15.5 1.0 CD2 B:LEU106 4.3 17.9 1.0 CG B:LEU106 4.6 18.0 1.0 NE2 B:GLN103 4.6 19.9 1.0 NAP B:Q5E201 4.7 12.0 1.0 O B:HOH377 4.8 23.4 1.0 CAN B:Q5E201 4.9 10.2 1.0 CD2 B:PHE123 5.0 15.2 1.0

Chlorine binding site 10 out of 18 in the Engineered Lipocalin C3A5 in Complex with A Transition State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Engineered Lipocalin C3A5 in Complex with A Transition State Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:24.8 occ:1.00 CL5 B:Q5E201 0.0 24.8 1.0 CAE B:Q5E201 1.8 13.3 1.0 CAD B:Q5E201 2.8 14.6 1.0 CAF B:Q5E201 2.8 14.4 1.0 O B:HOH377 2.9 23.4 1.0 CL6 B:Q5E201 3.2 16.5 1.0 CL4 B:Q5E201 3.5 21.3 1.0 NE2 B:GLN103 3.6 19.9 1.0 CAO B:Q5E201 3.6 12.2 1.0 OAQ B:Q5E201 3.7 11.7 1.0 CAC B:Q5E201 3.7 12.6 1.0 CAJ B:Q5E201 3.9 11.0 1.0 OAZ B:Q5E201 3.9 14.8 1.0 CAA B:Q5E201 3.9 13.0 1.0 NAP B:Q5E201 4.2 12.0 1.0 CL1 B:Q5E201 4.2 13.3 1.0 CAV B:Q5E201 4.3 13.2 1.0 CAB B:Q5E201 4.4 11.1 1.0 CAT B:Q5E201 4.4 12.8 1.0 CAN B:Q5E201 4.5 10.2 1.0 CAX B:Q5E201 4.6 11.8 1.0 O B:HOH352 4.7 18.5 1.0 CD B:GLN103 4.8 20.4 1.0 CAU B:Q5E201 4.8 13.4 1.0 CAS B:Q5E201 4.9 12.2 1.0

A.Eichinger, A.Skerra. Structure of An Engineered Lipocalin That Catalyzes A Diels-Alder Reaction To Be Published.