Chlorine in PDB 7a0x: Structure of Dimeric Sodium Proton Antiporter Nhaa, at pH 6.0, Crystallized with Chimeric Fab Antibodies

The structure of Structure of Dimeric Sodium Proton Antiporter Nhaa, at pH 6.0, Crystallized with Chimeric Fab Antibodies, PDB code: 7a0x was solved by A.Fippel, C.J.Lentes, S.H.Mir, C.Wirth, C.Hunte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.90 / 2.37
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	113.01, 91.713, 139.997, 90, 109.8, 90
R / Rfree (%)	20.5 / 24.1

The structure of Structure of Dimeric Sodium Proton Antiporter Nhaa, at pH 6.0, Crystallized with Chimeric Fab Antibodies also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Structure of Dimeric Sodium Proton Antiporter Nhaa, at pH 6.0, Crystallized with Chimeric Fab Antibodies (pdb code 7a0x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Dimeric Sodium Proton Antiporter Nhaa, at pH 6.0, Crystallized with Chimeric Fab Antibodies, PDB code: 7a0x:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Dimeric Sodium Proton Antiporter Nhaa, at pH 6.0, 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, at pH 6.0, Crystallized with Chimeric Fab Antibodies within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:60.0 occ:1.00 O C:HOH416 2.7 59.6 1.0 O C:HOH406 3.3 38.4 1.0 CB C:GLN82 3.5 41.7 1.0 CD C:GLN82 4.0 59.7 1.0 NE2 C:GLN82 4.1 67.8 1.0 CD C:ARG80 4.1 56.2 1.0 CG C:ARG80 4.2 39.5 1.0 CG C:GLN82 4.3 48.6 1.0 OE1 C:GLN82 4.4 58.5 1.0 CG2 C:THR69 4.4 34.2 1.0 O C:THR69 4.5 59.9 1.0 N C:GLN82 4.6 48.9 1.0 CA C:GLN82 4.7 26.6 1.0 CB C:THR69 4.7 36.2 1.0 OG C:SER71 4.9 42.5 1.0 OG C:SER19 4.9 51.7 1.0

Chlorine binding site 2 out of 3 in the Structure of Dimeric Sodium Proton Antiporter Nhaa, at pH 6.0, 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, at pH 6.0, Crystallized with Chimeric Fab Antibodies within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:76.1 occ:1.00 NZ C:LYS65 2.8 101.9 1.0 O C:HOH425 3.0 65.2 1.0 CD C:ARG59 3.4 61.2 1.0 N C:TYR60 3.6 45.6 1.0 CE C:LYS65 3.7 85.8 1.0 CD C:LYS65 3.7 60.8 1.0 NE C:ARG59 3.8 50.1 1.0 CD2 C:TYR60 3.9 41.7 1.0 CA C:ARG59 4.0 41.3 1.0 CG C:LYS65 4.2 40.3 1.0 C C:ARG59 4.3 48.9 1.0 CB C:TYR60 4.4 37.4 1.0 O C:TYR60 4.5 53.1 1.0 CA C:TYR60 4.5 45.3 1.0 CG C:ARG59 4.6 55.6 1.0 O C:THR58 4.6 66.9 1.0 CG C:TYR60 4.6 36.2 1.0 CB C:ARG59 4.8 37.0 1.0 CZ C:ARG59 4.8 47.8 1.0 CE2 C:TYR60 4.8 36.9 1.0 C C:TYR60 4.9 45.7 1.0 N C:ARG59 5.0 40.2 1.0

Chlorine binding site 3 out of 3 in the Structure of Dimeric Sodium Proton Antiporter Nhaa, at pH 6.0, 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, at pH 6.0, Crystallized with Chimeric Fab Antibodies within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl301 b:59.4 occ:1.00 N F:PHE94 3.4 43.8 1.0 O E:HOH441 3.6 67.4 1.0 N E:TRP47 3.7 49.2 1.0 CA F:ILE93 3.9 41.3 1.0 CA E:GLU46 4.1 40.1 1.0 CD2 F:PHE94 4.2 52.6 1.0 C F:ILE93 4.2 45.5 1.0 O F:PHE94 4.2 58.2 1.0 CB F:PHE94 4.3 40.1 1.0 CA F:PHE94 4.3 37.9 1.0 CB F:ILE93 4.4 45.4 1.0 O E:LEU45 4.4 39.5 1.0 CG E:GLU46 4.4 50.9 1.0 C E:GLU46 4.5 43.5 1.0 CB E:TRP47 4.5 33.9 1.0 O F:ALA92 4.6 71.3 1.0 CG2 F:ILE93 4.7 53.8 1.0 CA E:TRP47 4.7 39.5 1.0 CG F:PHE94 4.7 48.1 1.0 C F:PHE94 4.8 38.0 1.0 CB E:GLU46 4.8 40.4 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.