Chlorine in PDB 8cx8: STX2A1-BTB13086

All present enzymatic activity of STX2A1-BTB13086:
3.2.2.22;

The structure of STX2A1-BTB13086, PDB code: 8cx8 was solved by M.J.Rudolph, X.P.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.28 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.633, 78.622, 87.337, 90, 90, 90
R / Rfree (%)	17.8 / 20.5

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the STX2A1-BTB13086 (pdb code 8cx8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the STX2A1-BTB13086, PDB code: 8cx8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:71.7 occ:1.00 CL15 A:P1U301 0.0 71.7 1.0 C14 A:P1U301 1.8 65.6 1.0 C11 A:P1U301 2.7 60.7 1.0 C13 A:P1U301 2.7 71.1 1.0 O A:HOH517 3.2 49.5 1.0 O A:SER229 3.7 39.7 1.0 CB A:SER229 3.7 53.8 1.0 OE1 A:GLN33 3.8 80.8 1.0 CA A:SER229 3.8 53.3 1.0 CB A:LEU232 3.9 38.1 1.0 C10 A:P1U301 4.0 60.7 1.0 C12 A:P1U301 4.0 67.0 1.0 O A:HOH499 4.1 54.0 1.0 C A:SER229 4.2 46.0 1.0 CD1 A:LEU232 4.3 54.5 1.0 N A:GLY233 4.6 34.2 1.0 C09 A:P1U301 4.6 61.1 1.0 CG A:LEU232 4.7 46.9 1.0 OG A:SER229 4.9 66.6 1.0 C A:LEU232 4.9 30.7 1.0 CD A:GLN33 4.9 82.7 1.0

Chlorine binding site 2 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:61.4 occ:1.00 CL15 A:P1U302 0.0 61.4 1.0 C14 A:P1U302 1.8 53.4 1.0 C13 A:P1U302 2.7 49.0 1.0 C11 A:P1U302 2.8 36.8 1.0 O B:HOH435 3.4 60.8 1.0 CE2 B:TYR77 3.5 45.5 1.0 CB B:ASN75 3.8 33.4 1.0 CA A:ARG204 3.9 30.8 1.0 CB A:ARG204 3.9 34.7 1.0 C12 A:P1U302 4.0 41.0 1.0 CG A:ARG204 4.0 39.9 1.0 C10 A:P1U302 4.1 29.6 1.0 ND2 B:ASN75 4.1 41.6 1.0 CD A:ARG204 4.2 40.4 1.0 OH B:TYR77 4.2 51.5 1.0 CB A:ASN207 4.2 51.9 1.0 CZ B:TYR77 4.3 47.2 1.0 CD2 B:TYR77 4.4 39.0 1.0 CG A:ASN207 4.4 69.3 1.0 CG B:ASN75 4.4 35.1 1.0 N A:ARG204 4.5 27.9 1.0 C09 A:P1U302 4.5 35.8 1.0 OD1 A:ASN207 4.6 73.7 1.0 CD2 B:LEU239 4.7 34.4 1.0 O A:GLY203 4.8 29.4 1.0 C A:GLY203 4.9 35.2 1.0 ND2 A:ASN207 4.9 75.0 1.0 NE A:ARG204 4.9 51.1 1.0

Chlorine binding site 3 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:57.5 occ:1.00 O B:HOH416 2.8 38.4 1.0 ND2 B:ASN201 3.0 39.7 1.0 N B:ARG222 3.0 27.3 1.0 CB A:SER113 3.3 26.9 1.0 OG A:SER113 3.5 26.3 1.0 CG B:ARG222 3.6 42.8 1.0 CB B:ARG222 3.7 33.1 1.0 CD B:ARG222 3.7 50.8 1.0 CA B:GLY221 3.7 23.0 1.0 CG B:ASN201 3.8 37.9 1.0 C B:GLY221 3.9 28.1 1.0 OD1 B:ASN201 3.9 45.3 1.0 CA B:ARG222 3.9 33.9 1.0 O B:HOH500 4.4 60.2 1.0 O B:VAL220 4.5 29.2 1.0 OD2 A:ASP111 4.5 24.8 1.0 O A:HOH456 4.6 38.0 1.0 OD1 B:ASP197 4.6 50.9 1.0 OG1 A:THR115 4.6 34.7 1.0 CB A:THR115 4.7 29.2 1.0 CG B:ASP197 4.7 49.8 1.0 CA A:SER113 4.8 28.2 1.0 N B:GLY221 4.8 22.9 1.0 C B:ARG222 4.9 30.4 1.0 N B:ILE223 4.9 30.0 1.0 CB B:ASP197 4.9 40.1 1.0 NE B:ARG222 5.0 47.8 1.0

Chlorine binding site 4 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:75.5 occ:1.00 O A:HOH470 2.3 57.9 1.0 N A:PHE64 3.2 37.4 1.0 CA A:PHE64 3.6 35.5 1.0 OH A:TYR139 3.8 35.7 1.0 ND1 A:HIS66 4.1 42.5 1.0 CD1 A:PHE64 4.2 32.3 1.0 N A:ASP65 4.3 28.6 1.0 C A:ARG63 4.3 35.0 1.0 CE2 A:TYR139 4.4 28.9 1.0 OD1 A:ASP65 4.4 46.0 0.8 C A:PHE64 4.5 32.9 1.0 CZ A:TYR139 4.5 29.0 1.0 CA A:ARG63 4.5 46.4 1.0 CE1 A:HIS66 4.6 38.5 1.0 CB A:ARG63 4.6 48.2 1.0 CB A:PHE64 4.8 28.8 1.0 CG A:PHE64 4.9 31.7 1.0 CE1 A:PHE64 4.9 36.8 1.0

Chlorine binding site 5 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:75.7 occ:1.00 O A:HOH461 3.0 35.0 1.0 NH2 A:ARG172 3.4 37.9 1.0 N A:SER37 3.4 37.9 1.0 OG A:SER37 3.6 43.7 0.6 O A:SER37 3.7 32.0 1.0 O A:THR35 3.8 55.9 1.0 CA A:THR36 4.1 47.8 1.0 C A:THR36 4.2 41.2 1.0 CA A:SER37 4.2 41.6 1.0 C A:SER37 4.3 36.0 1.0 CB A:SER37 4.4 44.3 1.0 CZ A:ARG172 4.6 37.1 1.0 OG A:SER39 4.6 35.7 1.0 OG A:SER37 4.7 45.7 0.4 C A:THR35 4.8 50.4 1.0 CG2 A:THR36 4.9 56.0 1.0 OD1 A:ASN18 5.0 37.8 1.0 N A:THR36 5.0 48.5 1.0

Chlorine binding site 6 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:71.6 occ:1.00 O A:HOH508 3.0 45.3 1.0 O A:HOH459 3.3 56.5 1.0 OE1 A:GLN10 3.7 47.5 1.0 CB A:SER183 4.2 42.5 1.0 OG A:SER183 4.9 43.0 1.0 CD A:GLN10 4.9 42.2 1.0

Chlorine binding site 7 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:66.2 occ:1.00 N A:SER126 3.3 33.5 1.0 N A:ARG125 3.5 35.7 1.0 OE1 A:GLN118 3.5 46.5 1.0 CB A:SER126 3.6 38.9 1.0 CB A:GLU124 4.0 47.9 1.0 CA A:SER126 4.1 33.5 1.0 CA A:ARG125 4.1 36.0 1.0 C A:ARG125 4.1 31.7 1.0 CB A:ARG125 4.2 36.1 1.0 C A:GLU124 4.2 40.7 1.0 CD A:GLN118 4.3 43.6 1.0 CA A:GLU124 4.3 36.4 1.0 NE2 A:GLN118 4.4 47.0 1.0 O A:HOH429 4.4 42.1 1.0 CG A:GLU124 4.6 63.0 1.0 CG1 A:VAL196 4.7 29.0 1.0 CG2 A:VAL196 4.9 31.4 1.0 OG A:SER126 4.9 48.0 1.0 CD A:GLU124 4.9 80.3 1.0

Chlorine binding site 8 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:56.4 occ:1.00 O B:HOH492 2.4 55.4 1.0 N B:GLN11 3.3 39.9 1.0 N B:GLN10 3.6 43.1 1.0 CB B:THR9 3.6 47.2 1.0 CB B:GLN11 3.9 49.6 1.0 CB B:GLN10 3.9 42.2 1.0 OG1 B:THR9 3.9 45.7 1.0 CA B:GLN10 4.1 40.8 1.0 C B:GLN10 4.1 40.1 1.0 CA B:GLN11 4.2 40.6 1.0 C B:THR9 4.4 38.6 1.0 CG2 B:THR9 4.5 51.2 1.0 CA B:THR9 4.6 38.6 1.0 CG B:GLN10 4.6 49.2 1.0

Chlorine binding site 9 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:72.5 occ:1.00 OE1 B:GLN118 3.4 53.8 1.0 N B:SER126 3.5 45.2 1.0 N B:ARG125 3.5 43.9 1.0 CB B:GLU124 3.8 61.4 1.0 CB B:SER126 3.9 57.8 1.0 C B:GLU124 4.2 45.7 1.0 CA B:GLU124 4.2 51.4 1.0 CA B:ARG125 4.2 43.3 1.0 CD B:GLN118 4.3 43.9 1.0 CB B:ARG125 4.3 39.2 1.0 CA B:SER126 4.3 52.2 1.0 C B:ARG125 4.3 45.6 1.0 CG B:GLU124 4.3 69.3 1.0 NE2 B:GLN118 4.4 43.1 1.0 CG1 B:VAL196 4.7 38.7 1.0 CD B:GLU124 4.7 82.1 1.0 OE1 B:GLU124 4.9 84.9 1.0 CG2 B:VAL196 5.0 43.3 1.0

Chlorine binding site 10 out of 11 in the STX2A1-BTB13086


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of STX2A1-BTB13086 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:74.5 occ:1.00 O B:HOH492 3.1 55.4 1.0 CB B:SER183 3.5 54.6 1.0 NE2 B:GLN10 3.9 52.9 1.0 CA B:SER183 3.9 53.0 1.0 N B:GLU184 4.1 50.4 1.0 C B:SER183 4.5 46.5 1.0 OG B:SER183 4.7 58.7 1.0 CG B:GLU184 4.8 69.3 1.0 CD B:GLN10 5.0 49.1 1.0

M.J.Rudolph, X.P.Li. STX2A1-BTB13086 To Be Published.