Chlorine in PDB 7a0y: Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies

The structure of Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies, PDB code: 7a0y was solved by A.Fippel, S.H.Mir, C.J.Lentes, C.Wirth, C.Hunte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.74 / 2.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	112.036, 91.681, 138.287, 90, 110.08, 90
R / Rfree (%)	20.3 / 24.1

The binding sites of Chlorine atom in the Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies (pdb code 7a0y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies, PDB code: 7a0y:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:49.6 occ:1.00 O C:HOH408 3.1 61.6 1.0 O C:HOH406 3.1 29.2 1.0 CB C:GLN82 3.5 33.5 1.0 CD C:ARG80 3.9 30.1 1.0 CG C:ARG80 4.0 19.1 1.0 CD C:GLN82 4.2 30.5 1.0 OE1 C:GLN82 4.3 48.3 1.0 CG C:GLN82 4.3 37.5 1.0 CG2 C:THR69 4.4 31.1 1.0 O C:THR69 4.4 57.2 1.0 NE2 C:GLN82 4.5 51.4 1.0 N C:GLN82 4.5 33.7 1.0 CA C:GLN82 4.6 28.5 1.0 CB C:THR69 4.7 38.3 1.0 OG C:SER19 4.8 33.4 1.0 OG C:SER71 4.9 39.5 1.0 CB C:ARG80 5.0 33.6 1.0

Chlorine binding site 2 out of 4 in the Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:74.0 occ:1.00 NZ C:LYS65 2.9 69.6 1.0 CD C:ARG59 3.4 59.1 1.0 N C:TYR60 3.6 41.3 1.0 CD1 C:TYR60 3.7 22.7 1.0 CA C:ARG59 3.9 31.2 1.0 CE C:LYS65 4.0 67.3 1.0 NE C:ARG59 4.0 50.1 1.0 C C:ARG59 4.3 41.9 1.0 CD C:LYS65 4.3 63.4 1.0 O C:THR58 4.4 55.2 1.0 CB C:TYR60 4.4 33.2 1.0 CA C:TYR60 4.5 39.8 1.0 CG C:ARG59 4.6 48.7 1.0 CG C:TYR60 4.6 26.5 1.0 CG C:LYS65 4.6 57.9 1.0 CE1 C:TYR60 4.6 23.7 1.0 O C:TYR60 4.6 54.3 1.0 O C:HOH411 4.7 48.4 1.0 CB C:ARG59 4.7 39.8 1.0 N C:ARG59 4.8 23.1 1.0 C C:THR58 5.0 22.2 1.0 CZ C:ARG59 5.0 49.2 1.0

Chlorine binding site 3 out of 4 in the Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:48.7 occ:1.00 O C:HOH422 3.1 56.2 1.0 N C:TRP47 3.4 27.2 1.0 N D:PHE94 3.5 36.6 1.0 O C:HOH431 3.6 45.8 1.0 CA D:ILE93 3.8 40.0 1.0 CA C:GLU46 3.8 29.9 1.0 CD2 D:PHE94 4.0 22.9 1.0 C C:GLU46 4.1 31.6 1.0 C D:ILE93 4.1 38.6 1.0 CB C:TRP47 4.2 37.5 1.0 O D:ALA92 4.2 44.8 1.0 CG C:GLU46 4.3 53.1 1.0 O C:LEU45 4.3 47.6 1.0 CB D:ILE93 4.4 36.7 1.0 CA C:TRP47 4.4 23.5 1.0 CA D:PHE94 4.5 27.9 1.0 CB D:PHE94 4.5 38.4 1.0 CG2 D:ILE93 4.5 36.9 1.0 O D:PHE94 4.5 41.3 1.0 CB C:GLU46 4.5 26.5 1.0 CG D:PHE94 4.7 32.6 1.0 N D:ILE93 4.8 46.2 1.0 N C:GLU46 4.9 40.6 1.0 CE2 D:PHE94 4.9 40.3 1.0 C D:ALA92 4.9 42.4 1.0 O C:TRP47 5.0 42.0 1.0 C C:LEU45 5.0 39.5 1.0 C D:PHE94 5.0 34.5 1.0

Chlorine binding site 4 out of 4 in the Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Dimeric Sodium Proton Antiporter Nhaa K300R Variant, at pH 8.2, Crystallized with Chimeric Fab Antibodies within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl301 b:63.4 occ:1.00 N E:TRP47 3.2 36.1 1.0 N F:PHE94 3.5 42.9 1.0 CA F:ILE93 3.7 40.5 1.0 CA E:GLU46 3.8 20.8 1.0 CB E:TRP47 3.9 27.1 1.0 CD2 F:PHE94 3.9 23.1 1.0 C E:GLU46 4.0 31.3 1.0 C F:ILE93 4.1 47.7 1.0 CG E:GLU46 4.1 46.1 1.0 CA E:TRP47 4.2 30.9 1.0 O F:ALA92 4.2 57.4 1.0 CB F:ILE93 4.3 40.8 1.0 CB F:PHE94 4.4 33.9 1.0 CA F:PHE94 4.4 37.5 1.0 O E:LEU45 4.5 53.0 1.0 CB E:GLU46 4.5 33.4 1.0 CG2 F:ILE93 4.6 33.6 1.0 O F:PHE94 4.6 61.4 1.0 CG F:PHE94 4.6 35.2 1.0 O E:TRP47 4.7 45.0 1.0 N F:ILE93 4.8 40.6 1.0 CE2 F:PHE94 4.8 45.1 1.0 N E:GLU46 4.8 34.3 1.0 C F:ALA92 4.9 47.0 1.0 C E:TRP47 5.0 32.5 1.0 C F:PHE94 5.0 52.1 1.0

A.Fippel, S.H.Mir, C.Wirth, N.M.Gross, C.J.Lentes, E.Bialas, F.Frank, M.H.Ulbrich, S.L.A.Andrade, A.Kulik, C.Hunte. Molecular Determinants For Substrate Uptake in Electrogenic Sodium/Proton Antiporters To Be Published.