Chlorine in PDB 2r83: Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B

The structure of Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B, PDB code: 2r83 was solved by R.B.Sutton, K.L.Fuson, M.Montes, J.J.Robert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.31 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.372, 86.310, 147.186, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 25.3

The binding sites of Chlorine atom in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B (pdb code 2r83). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B, PDB code: 2r83:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:37.7 occ:1.00 NE1 A:TRP404 3.1 35.5 1.0 CE1 A:PHE234 3.6 34.8 1.0 CE2 A:TRP404 4.0 37.3 1.0 CD1 A:TRP404 4.2 34.6 1.0 CZ2 A:TRP404 4.2 37.8 1.0 CD1 A:PHE234 4.3 35.3 1.0 CZ A:PHE234 4.7 35.0 1.0 OE2 A:GLU295 4.8 58.4 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:38.8 occ:1.00 N A:ASN248 3.1 33.5 1.0 N A:GLY221 3.2 36.3 1.0 ND2 A:ASN248 3.3 39.7 1.0 CB A:ASN248 3.4 35.0 1.0 N A:MET247 3.7 31.6 1.0 CA A:ASN248 3.8 34.8 1.0 O A:LYS222 3.8 38.6 1.0 CG A:ASN248 3.9 36.3 1.0 CB A:MET247 3.9 32.8 1.0 C A:MET247 3.9 32.5 1.0 CA A:GLY221 4.0 35.7 1.0 CA A:MET247 4.0 32.0 1.0 CA A:ALA220 4.0 38.7 1.0 C A:ALA220 4.1 37.2 1.0 N A:LYS222 4.1 35.9 1.0 C A:GLY221 4.4 35.9 1.0 C A:PRO246 4.4 33.1 1.0 O A:LEU219 4.5 40.0 1.0 C A:LYS222 4.8 37.3 1.0 CB A:ALA220 4.8 38.4 1.0 CB A:PRO246 4.9 33.8 1.0 CG A:MET247 4.9 34.5 1.0 CA A:PRO246 4.9 34.1 1.0 O A:MET247 5.0 31.6 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:36.6 occ:1.00 O B:HOH435 2.8 28.8 1.0 NE2 A:GLN209 3.3 44.2 1.0 CA A:ASN207 3.3 27.1 1.0 OD1 A:ASN207 3.4 33.4 1.0 CB A:ASN207 3.6 27.7 1.0 C A:ASN207 3.8 27.5 1.0 CD1 A:ILE163 3.8 33.5 1.0 CG A:ASN207 3.9 31.6 1.0 O A:ASN207 4.0 27.7 1.0 CB B:LEU394 4.0 28.3 1.0 CD1 B:LEU394 4.0 29.3 1.0 CG2 A:ILE163 4.5 27.3 1.0 CD A:GLN209 4.5 43.4 1.0 N A:ASN207 4.6 27.4 1.0 N A:GLU208 4.6 27.9 1.0 OE1 B:GLN353 4.6 42.9 1.0 CG B:LEU394 4.7 29.5 1.0 NE2 B:GLN353 4.9 42.6 1.0 OE1 A:GLN209 5.0 45.3 1.0 CA A:ILE163 5.0 25.7 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:37.0 occ:1.00 O B:HOH445 3.2 23.0 1.0 N A:LEU202 3.3 29.8 1.0 ND2 A:ASN203 3.6 32.7 1.0 OG1 A:THR201 3.8 27.7 1.0 CB A:LEU202 4.1 27.4 1.0 CA A:THR201 4.1 29.0 1.0 N A:ASN203 4.1 27.6 1.0 CA A:LEU202 4.1 28.6 1.0 C A:THR201 4.2 30.1 1.0 C A:LEU202 4.5 28.4 1.0 CB A:THR201 4.5 29.7 1.0 CG A:LEU202 4.5 27.6 1.0 CG A:ASN203 4.6 32.3 1.0 O A:HOH428 4.6 50.8 1.0 CB A:ASN203 4.6 27.4 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl105 b:39.0 occ:1.00 ND1 A:HIS198 3.0 28.9 1.0 O B:HOH443 3.2 32.4 1.0 N A:VAL205 3.3 23.7 1.0 CE1 A:HIS198 3.6 28.2 1.0 CA A:PRO204 3.7 24.9 1.0 C A:PRO204 4.0 24.6 1.0 CG A:HIS198 4.1 26.7 1.0 O A:VAL205 4.1 24.9 1.0 CD B:ARG199 4.2 23.5 1.0 O A:ASN203 4.4 26.9 1.0 CA A:VAL205 4.4 23.9 1.0 CB A:PRO204 4.4 24.9 1.0 CB B:ARG199 4.4 23.7 1.0 CB A:VAL205 4.5 22.8 1.0 CB A:HIS198 4.6 24.8 1.0 CG B:ARG199 4.6 24.5 1.0 C A:VAL205 4.6 24.8 1.0 O B:HOH436 4.6 28.0 1.0 CG2 A:THR201 4.7 26.9 1.0 N A:PRO204 4.8 24.6 1.0 CG2 A:VAL205 4.8 19.2 1.0 NE2 A:HIS198 4.8 30.8 1.0 OG1 A:THR201 4.9 27.7 1.0 C A:ASN203 5.0 26.5 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl108 b:55.2 occ:1.00 N A:ASP261 3.2 42.7 1.0 NE A:ARG260 3.2 44.2 1.0 CA A:ARG260 3.5 38.8 1.0 CD A:ARG260 3.6 41.6 1.0 C A:ARG260 3.9 41.0 1.0 OD2 A:ASP261 3.9 51.9 1.0 CB A:ARG260 3.9 38.4 1.0 CG A:ASP261 4.0 49.7 1.0 CB A:ASP261 4.1 46.5 1.0 CA A:ASP261 4.2 43.6 1.0 CZ A:ARG260 4.3 44.8 1.0 CG A:ARG260 4.4 40.3 1.0 NH2 A:ARG260 4.6 43.1 1.0 OD1 A:ASP261 4.7 52.1 1.0 O A:TRP259 4.7 38.0 1.0 N A:ARG260 4.8 38.6 1.0 O A:ASP261 4.8 43.9 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl106 b:34.4 occ:1.00 ND1 B:HIS198 3.0 27.8 1.0 N B:VAL205 3.4 24.0 1.0 CE1 B:HIS198 3.6 26.8 1.0 CA B:PRO204 3.7 24.1 1.0 C B:PRO204 4.1 24.8 1.0 O B:VAL205 4.1 26.2 1.0 CD A:ARG199 4.1 26.7 1.0 CG B:HIS198 4.1 26.3 1.0 CB A:ARG199 4.3 24.9 1.0 CA B:VAL205 4.4 24.5 1.0 O B:ASN203 4.4 26.9 1.0 CB B:PRO204 4.4 23.6 1.0 CG A:ARG199 4.5 25.0 1.0 CB B:VAL205 4.5 24.7 1.0 CB B:HIS198 4.6 24.8 1.0 C B:VAL205 4.6 25.6 1.0 N B:PRO204 4.8 23.4 1.0 CG2 B:VAL205 4.8 22.2 1.0 CG2 B:THR201 4.8 27.5 1.0 NE2 B:HIS198 4.8 29.8 1.0 OG1 B:THR201 4.9 29.4 1.0 C B:ASN203 5.0 25.7 1.0 O A:ARG199 5.0 25.8 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure Analysis of Human Synaptotagmin 1 C2A-C2B within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl107 b:45.1 occ:1.00 O A:HOH440 2.9 35.9 1.0 OD1 B:ASN207 3.4 31.4 1.0 NE2 B:GLN209 3.4 45.0 1.0 CA B:ASN207 3.4 27.7 1.0 CB B:ASN207 3.7 26.7 1.0 CD1 B:ILE163 3.8 35.7 1.0 CB A:LEU394 3.8 27.4 1.0 C B:ASN207 3.9 28.3 1.0 CG B:ASN207 4.0 31.3 1.0 CD1 A:LEU394 4.0 25.4 1.0 O B:ASN207 4.1 28.4 1.0 CG2 B:ILE163 4.5 26.6 1.0 CG A:LEU394 4.6 27.4 1.0 CD B:GLN209 4.6 42.2 1.0 N B:ASN207 4.6 27.7 1.0 N B:GLU208 4.7 29.2 1.0 OE1 A:GLN353 4.8 45.1 1.0 NE2 A:GLN353 5.0 45.5 1.0

K.L.Fuson, M.Montes, J.J.Robert, R.B.Sutton. Structure of Human Synaptotagmin 1 C2AB in the Absence of CA2+ Reveals A Novel Domain Association. Biochemistry V. 46 13041 2007.
ISSN: ISSN 0006-2960
PubMed: 17956130
DOI: 10.1021/BI701651K