Chlorine in PDB 7tx9: Human Synaptotagmin-1 C2B Y312F CA2+ Bound

The structure of Human Synaptotagmin-1 C2B Y312F CA2+ Bound, PDB code: 7tx9 was solved by M.J.Dominguez, S.Karmakar, K.L.Fuson, R.B.Sutton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.61 / 1.34
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.29, 54.29, 102.3, 90, 90, 120
R / Rfree (%)	16.9 / 18.8

The structure of Human Synaptotagmin-1 C2B Y312F CA2+ Bound also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Human Synaptotagmin-1 C2B Y312F CA2+ Bound (pdb code 7tx9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human Synaptotagmin-1 C2B Y312F CA2+ Bound, PDB code: 7tx9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Human Synaptotagmin-1 C2B Y312F CA2+ Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Synaptotagmin-1 C2B Y312F CA2+ Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:21.4 occ:1.00 H A:LYS370 2.3 25.5 1.0 HA2 A:GLY369 3.0 22.3 1.0 N A:LYS370 3.2 21.3 1.0 HB2 A:LYS370 3.2 34.3 1.0 HB3 A:LYS370 3.7 34.3 1.0 CA A:GLY369 3.7 18.6 1.0 CB A:LYS370 3.8 28.6 1.0 HA3 A:GLY369 3.9 22.3 1.0 C A:GLY369 3.9 18.7 1.0 CA A:LYS370 4.1 22.1 1.0 HA A:LYS370 4.6 26.6 1.0 HD3 A:LYS370 4.9 47.0 1.0 N A:GLY369 5.0 19.8 1.0

Chlorine binding site 2 out of 4 in the Human Synaptotagmin-1 C2B Y312F CA2+ Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Synaptotagmin-1 C2B Y312F CA2+ Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:32.4 occ:1.00 HD22 A:ASN371 2.4 25.0 1.0 HZ1 A:LYS314 2.4 34.9 1.0 H51 A:1PG508 2.7 60.0 1.0 H61 A:1PG508 3.0 69.7 1.0 HE3 A:LYS314 3.1 29.5 1.0 HZ A:PHE312 3.1 18.7 1.0 NZ A:LYS314 3.1 29.1 1.0 HB2 A:ASN371 3.1 21.4 1.0 ND2 A:ASN371 3.2 20.9 1.0 CE A:LYS314 3.4 24.6 1.0 HZ2 A:LYS314 3.4 34.9 1.0 O A:HOH652 3.5 43.6 1.0 H52 A:1PG508 3.5 60.0 1.0 HE2 A:LYS314 3.5 29.5 1.0 C5 A:1PG508 3.5 50.0 1.0 HD21 A:ASN371 3.6 25.0 1.0 HD22 A:LEU363 3.7 24.2 1.0 HZ3 A:LYS314 3.8 34.9 1.0 C6 A:1PG508 3.9 58.1 1.0 CB A:ASN371 4.0 17.8 1.0 CZ A:PHE312 4.0 15.6 1.0 CG A:ASN371 4.0 18.4 1.0 O3 A:1PG508 4.1 58.7 1.0 H A:ASN371 4.2 20.5 1.0 H62 A:1PG508 4.2 69.7 1.0 HE2 A:PHE312 4.4 19.6 1.0 HB3 A:ASN371 4.5 21.4 1.0 CD2 A:LEU363 4.5 20.1 1.0 CE2 A:PHE312 4.7 16.3 1.0 H41 A:1PG508 4.7 57.0 1.0 HD21 A:LEU363 4.7 24.2 1.0 C4 A:1PG508 4.7 47.5 1.0 HD23 A:LEU363 4.8 24.2 1.0 CD A:LYS314 4.9 21.5 1.0 N A:ASN371 4.9 17.1 1.0 HE1 A:PHE312 4.9 18.6 1.0 O A:ASN371 4.9 23.4 1.0 CE1 A:PHE312 5.0 15.5 1.0

Chlorine binding site 3 out of 4 in the Human Synaptotagmin-1 C2B Y312F CA2+ Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Synaptotagmin-1 C2B Y312F CA2+ Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:35.9 occ:1.00 H A:ILE331 2.3 18.5 1.0 HA A:THR330 3.0 18.8 1.0 HB A:THR330 3.0 19.8 1.0 N A:ILE331 3.1 15.4 1.0 O A:HOH715 3.2 48.9 1.0 HD12 A:ILE331 3.3 26.3 1.0 HB A:ILE331 3.3 21.9 1.0 H12 A:1PG508 3.6 57.3 1.0 HG13 A:ILE331 3.6 25.2 1.0 CA A:THR330 3.6 15.6 1.0 CB A:THR330 3.7 16.5 1.0 HG22 A:THR330 3.7 21.4 1.0 H11 A:1PG508 3.7 57.3 1.0 O1 A:1PG508 3.8 45.2 1.0 C A:THR330 3.9 14.6 1.0 C1 A:1PG508 3.9 47.8 1.0 CB A:ILE331 3.9 18.3 1.0 CG1 A:ILE331 4.0 21.0 1.0 CA A:ILE331 4.0 16.6 1.0 CD1 A:ILE331 4.1 21.9 1.0 CG2 A:THR330 4.2 17.9 1.0 O A:ILE331 4.2 17.5 1.0 HD13 A:ILE331 4.6 26.3 1.0 HG21 A:THR330 4.6 21.4 1.0 O A:HOH647 4.6 34.3 1.0 C A:ILE331 4.6 16.8 1.0 H21 A:1PG508 4.7 49.3 1.0 HD11 A:ILE331 4.8 26.3 1.0 C2 A:1PG508 4.8 41.1 1.0 HA A:ILE331 4.9 20.0 1.0 H32 A:1PG508 4.9 49.6 1.0 OG1 A:THR330 4.9 17.5 1.0 N A:THR330 4.9 14.5 1.0 HG12 A:ILE331 5.0 25.2 1.0 H13 A:1PG508 5.0 57.3 1.0 HG23 A:THR330 5.0 21.4 1.0

Chlorine binding site 4 out of 4 in the Human Synaptotagmin-1 C2B Y312F CA2+ Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Synaptotagmin-1 C2B Y312F CA2+ Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:34.4 occ:1.00 H A:TRP405 2.3 17.3 1.0 HD1 A:TRP405 2.8 21.7 1.0 HA A:GLN404 2.8 16.3 1.0 HG2 A:GLN404 3.1 19.6 1.0 HB2 A:TRP405 3.1 19.0 1.0 N A:TRP405 3.2 14.4 1.0 HG3 A:GLN404 3.2 19.6 1.0 O A:HOH702 3.4 37.6 1.0 CG A:GLN404 3.6 16.4 1.0 CD1 A:TRP405 3.6 18.1 1.0 CA A:GLN404 3.7 13.6 1.0 CB A:TRP405 3.9 15.8 1.0 C A:GLN404 3.9 14.0 1.0 CA A:TRP405 4.1 14.7 1.0 CG A:TRP405 4.1 17.1 1.0 CB A:GLN404 4.2 14.7 1.0 HH22 A:ARG389 4.5 41.0 0.5 O A:ALA403 4.6 15.7 1.0 HB2 A:GLN404 4.7 17.6 1.0 O A:TRP405 4.7 15.6 1.0 HB3 A:TRP405 4.7 19.0 1.0 O A:HOH701 4.7 67.5 1.0 N A:GLN404 4.8 13.3 1.0 HA A:TRP405 4.8 17.7 1.0 NE1 A:TRP405 4.8 18.2 1.0 O A:HOH634 4.9 22.1 1.0 C A:TRP405 4.9 15.0 1.0 CD A:GLN404 4.9 18.0 1.0 HB3 A:GLN404 4.9 17.6 1.0

M.J.Dominguez, S.Karmakar, K.L.Fuson, R.B.Sutton. Human Synaptotagmin-1 C2B Y312F CA2+ Bound To Be Published.