Chlorine in PDB 6ool: Structural Elucidation of the Ectodomain of Mouse UNC5H2

The structure of Structural Elucidation of the Ectodomain of Mouse UNC5H2, PDB code: 6ool was solved by J.Stetefeld, M.D.Mcdougall, P.C.Loewen, A.Moya, M.Meier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.78 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.051, 76.890, 159.010, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 26.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Structural Elucidation of the Ectodomain of Mouse UNC5H2 (pdb code 6ool). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Structural Elucidation of the Ectodomain of Mouse UNC5H2, PDB code: 6ool:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:56.5 occ:1.00 N A:GLN55 3.1 40.4 1.0 N A:HIS68 3.3 41.1 1.0 CA A:LEU67 3.5 41.6 1.0 CA A:PRO54 3.6 40.2 1.0 O A:HIS68 3.8 46.2 1.0 C A:PRO54 3.9 38.4 1.0 O A:GLN55 3.9 40.5 1.0 C A:LEU67 3.9 40.1 1.0 CD2 A:LEU67 4.0 50.4 1.0 O A:GLU66 4.0 57.5 1.0 CB A:GLN55 4.1 52.8 1.0 CA A:GLN55 4.1 43.1 1.0 CB A:LEU67 4.1 43.7 1.0 O A:GLU53 4.3 42.1 1.0 CA A:HIS68 4.3 40.3 0.2 CA A:HIS68 4.4 46.8 0.8 CB A:PRO54 4.4 38.3 1.0 C A:GLN55 4.5 40.0 1.0 CD2 A:HIS68 4.5 33.2 0.2 CB A:HIS68 4.5 38.0 0.2 N A:LEU67 4.6 49.2 1.0 CB A:HIS68 4.6 54.4 0.8 C A:HIS68 4.6 44.2 1.0 CG A:LEU67 4.6 45.4 1.0 CG A:GLN55 4.7 59.1 1.0 N A:PRO54 4.7 41.0 1.0 C A:GLU66 4.7 50.9 1.0 CG A:HIS68 4.9 35.1 0.2 C A:GLU53 5.0 41.3 1.0

Chlorine binding site 2 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:57.2 occ:1.00 NH1 A:ARG114 2.3 59.4 1.0 CZ A:ARG114 3.5 62.9 1.0 NH2 A:ARG114 4.0 58.7 1.0 CG2 A:ILE148 4.0 50.2 1.0 CB A:TYR150 4.1 41.4 1.0 NE A:ARG114 4.6 68.7 1.0 O A:ALA149 4.8 38.0 1.0 CG A:TYR150 4.8 42.5 1.0 CD2 A:TYR150 5.0 42.5 1.0

Chlorine binding site 3 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:64.4 occ:1.00 O A:HOH633 3.0 37.8 1.0 NH2 A:ARG234 3.1 45.1 1.0 CG1 A:VAL231 4.1 49.8 1.0 CZ A:ARG234 4.3 45.3 1.0 NH1 A:ARG234 4.6 44.9 1.0 O A:LEU151 4.6 38.2 1.0 CB A:ALA232 4.8 51.5 1.0

Chlorine binding site 4 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:68.3 occ:1.00 O A:HOH623 3.2 43.3 1.0 N A:ARG235 3.3 47.8 1.0 NZ A:LYS153 3.4 80.4 1.0 CA A:ARG234 3.5 45.0 1.0 O A:ARG235 3.7 45.3 1.0 CB A:ARG234 3.8 45.9 1.0 C A:ARG234 3.9 46.7 1.0 CE A:LYS153 4.2 82.5 1.0 CG A:ARG234 4.3 50.0 1.0 CD A:ARG234 4.3 51.9 1.0 CA A:ARG235 4.4 45.5 1.0 C A:ARG235 4.5 41.3 1.0 O A:LYS233 4.5 49.4 1.0 CB A:ARG235 4.7 48.9 1.0 N A:ARG234 4.7 42.4 1.0 CG A:ARG235 5.0 61.1 1.0

Chlorine binding site 5 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:74.0 occ:1.00 CA A:ASP199 3.2 94.4 1.0 C A:ASP199 3.2 90.0 1.0 N A:THR200 3.3 91.6 1.0 N A:ASN201 3.5 81.2 1.0 CB A:ASP199 3.5 95.9 1.0 NH1 A:ARG216 3.6 79.2 1.0 CB A:ASN201 3.6 66.0 1.0 O A:ASP199 3.9 86.3 1.0 NH2 A:ARG216 4.0 86.7 1.0 CZ A:ARG216 4.1 82.8 1.0 CA A:ASN201 4.1 75.2 1.0 CD2 A:PHE202 4.2 64.6 1.0 CE2 A:PHE202 4.3 70.4 1.0 C A:THR200 4.4 89.6 1.0 CA A:THR200 4.5 93.7 1.0 OD1 A:ASP199 4.5 94.2 1.0 CG A:ASP199 4.6 91.5 1.0 OG1 A:THR200 4.6 97.7 1.0 N A:ASP199 4.6 0.6 1.0 N A:PHE202 4.8 77.3 1.0 O A:GLN198 4.9 0.2 1.0 C A:ASN201 4.9 73.0 1.0

Chlorine binding site 6 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl511 b:69.2 occ:1.00 N A:ASN246 3.1 39.6 1.0 CA A:VAL245 3.7 42.5 1.0 ND2 A:ASN246 3.8 50.4 1.0 C A:VAL245 3.9 39.1 1.0 CB A:ASN246 4.0 48.0 1.0 CG A:ASN246 4.0 50.3 1.0 CA A:ASN246 4.1 45.6 1.0 O A:TYR244 4.2 40.2 1.0 CG1 A:VAL245 4.2 47.8 1.0 N A:LEU166 4.3 61.6 1.0 CB A:PRO165 4.3 64.9 1.0 CB A:VAL245 4.5 46.6 1.0 CE1 A:TYR244 4.5 56.5 1.0 CD1 A:TYR244 4.5 51.8 1.0 O A:ASN246 4.5 40.2 1.0 CA A:PRO165 4.6 63.5 1.0 N A:VAL245 4.7 44.6 1.0 OD1 A:ASN246 4.7 48.8 1.0 CB A:LEU166 4.7 56.8 1.0 C A:TYR244 4.7 44.4 1.0 C A:ASN246 4.9 41.7 1.0 C A:PRO165 5.0 62.5 1.0

Chlorine binding site 7 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:76.8 occ:1.00 N A:PHE50 3.0 43.3 1.0 CB A:PHE50 3.6 40.5 1.0 CA A:TYR49 3.7 39.8 1.0 CD2 A:PHE50 3.7 34.8 1.0 C A:TYR49 3.8 44.1 1.0 CA A:PHE50 3.8 42.8 1.0 CD1 A:TYR49 3.9 45.0 1.0 CG2 A:THR139 4.0 59.1 1.0 CG A:PHE50 4.2 34.9 1.0 O A:PRO48 4.3 32.6 1.0 CG A:TYR49 4.3 43.1 1.0 O A:PHE50 4.4 41.9 1.0 CE1 A:TYR49 4.5 43.3 1.0 CB A:TYR49 4.5 41.0 1.0 C A:PHE50 4.6 44.5 1.0 N A:TYR49 4.7 36.5 1.0 OE2 A:GLU53 4.8 61.4 1.0 C A:PRO48 4.9 35.8 1.0 CE2 A:PHE50 4.9 33.1 1.0

Chlorine binding site 8 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl513 b:69.6 occ:1.00 N A:GLN173 3.3 63.4 1.0 NZ A:LYS162 3.4 76.5 1.0 CG A:GLN173 3.4 85.9 1.0 N A:LEU160 3.5 63.2 1.0 CD1 A:LEU160 3.6 87.4 1.0 CB A:GLN173 3.7 76.1 1.0 O A:LEU171 3.8 67.6 1.0 CE A:LYS162 3.9 72.9 1.0 CA A:PRO159 4.0 62.6 1.0 CA A:LEU172 4.0 61.6 1.0 CA A:GLN173 4.1 66.1 1.0 C A:LEU172 4.2 62.9 1.0 C A:PRO159 4.2 63.0 1.0 O A:LEU160 4.2 70.3 1.0 CB A:LEU160 4.3 81.2 1.0 CA A:LEU160 4.4 68.2 1.0 O A:GLN173 4.5 67.5 1.0 CG A:LEU160 4.5 86.1 1.0 CD2 A:LEU172 4.5 50.8 1.0 CB A:PRO159 4.6 61.4 1.0 C A:LEU171 4.8 64.7 1.0 C A:LEU160 4.8 62.4 1.0 C A:GLN173 4.9 64.7 1.0 O A:GLU158 4.9 72.3 1.0 N A:LEU172 4.9 62.2 1.0 CD A:GLN173 4.9 85.7 1.0 CB A:LEU172 5.0 56.4 1.0

Chlorine binding site 9 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl514 b:56.6 occ:1.00 O A:HOH646 3.2 36.3 1.0 N A:LEU217 3.6 51.8 1.0 CB A:LEU217 3.7 49.5 1.0 CD1 A:LEU166 3.8 62.8 1.0 CA A:ARG216 4.2 58.1 1.0 C A:ARG216 4.3 52.5 1.0 CB A:ARG216 4.4 65.3 1.0 CA A:LEU217 4.4 50.9 1.0 CD2 A:LEU166 4.8 61.6 1.0 CG A:LEU166 4.8 60.4 1.0 CG A:LEU217 4.9 45.2 1.0

Chlorine binding site 10 out of 13 in the Structural Elucidation of the Ectodomain of Mouse UNC5H2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structural Elucidation of the Ectodomain of Mouse UNC5H2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl515 b:80.4 occ:1.00 O A:HOH651 2.9 58.0 1.0 N A:LYS233 3.4 51.4 1.0 O A:LYS233 3.5 49.4 1.0 CB A:ALA232 3.7 51.5 1.0 CA A:ALA232 3.9 49.6 1.0 C A:ALA232 4.1 49.2 1.0 O A:HOH623 4.1 43.3 1.0 CG A:LYS233 4.2 69.5 1.0 C A:LYS233 4.3 44.2 1.0 CA A:LYS233 4.3 49.4 1.0 O A:HOH633 4.4 37.8 1.0 CB A:LYS233 4.7 57.4 1.0 NH1 A:ARG234 5.0 44.9 1.0

J.Stetefeld, M.D.Mcdougall, P.C.Loewen, A.Moya, M.Meier. Structural Elucidation of the Ectodomain of Mouse UNC5H2 To Be Published.