Chlorine in PDB 3qoo: Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans

The structure of Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans, PDB code: 3qoo was solved by K.Michalska, H.Li, S.Clancy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.38 / 1.25
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	38.078, 38.078, 142.148, 90.00, 90.00, 120.00
R / Rfree (%)	15.6 / 18.1

The structure of Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans (pdb code 3qoo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans, PDB code: 3qoo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl137 b:13.1 occ:0.93 O A:HOH144 3.1 12.3 1.0 NE A:ARG127 3.1 9.9 0.6 NH2 A:ARG127 3.4 12.1 0.6 CD A:ARG131 3.5 6.4 0.4 NH1 A:ARG131 3.6 11.3 0.6 CZ A:ARG127 3.7 12.2 0.6 CG A:ARG127 4.0 11.6 0.6 CG A:ARG131 4.0 8.6 0.4 CB A:ARG131 4.1 9.4 0.4 NE A:ARG131 4.1 6.8 0.4 CD A:ARG131 4.1 12.2 0.6 CD A:ARG127 4.2 13.5 0.6 CB A:ARG131 4.3 10.6 0.6 CG A:ARG131 4.4 11.4 0.6 O A:ARG127 4.7 9.3 0.4 CZ A:ARG131 4.7 11.6 0.6 NE A:ARG131 4.9 11.8 0.6 O A:ARG127 4.9 11.3 0.6

Chlorine binding site 2 out of 4 in the Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl138 b:17.8 occ:0.86 O A:HOH164 3.2 18.0 1.0 NH2 A:ARG127 3.2 13.7 0.4 NH1 A:ARG127 3.3 13.5 0.4 N A:SER120 3.3 12.1 1.0 CA A:VAL119 3.6 12.8 1.0 CB A:VAL119 3.6 13.1 1.0 CZ A:ARG127 3.7 13.7 0.4 O A:HOH240 3.7 28.3 0.6 CB A:LEU123 3.8 13.9 1.0 CD1 A:LEU123 4.0 17.9 1.0 C A:VAL119 4.0 11.3 1.0 CB A:SER120 4.1 14.8 1.0 CG1 A:VAL119 4.2 15.5 1.0 O A:SER120 4.2 13.7 1.0 CA A:SER120 4.2 13.2 1.0 CG A:LEU123 4.5 16.2 1.0 O A:HOH239 4.6 23.5 0.6 C A:SER120 4.7 13.2 1.0 O A:VAL118 4.8 13.9 1.0 CG2 A:VAL119 4.9 15.0 1.0 N A:VAL119 4.9 11.5 1.0 N A:LEU124 4.9 11.7 1.0 CA A:LEU123 5.0 13.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl139 b:21.4 occ:0.86 N A:ARG135 3.3 31.9 1.0 O A:HOH186 3.3 23.1 1.0 CA A:GLY134 3.7 27.1 1.0 C A:GLY134 4.0 29.4 1.0 CB A:ARG135 4.2 34.6 1.0 CA A:ARG135 4.2 33.6 1.0 OXT A:ARG135 4.5 32.5 1.0 C A:ARG135 4.8 33.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl140 b:12.4 occ:0.88 OG1 A:THR38 3.0 10.1 1.0 ND2 A:ASN72 3.3 11.0 0.5 ND2 A:ASN72 3.7 9.2 0.5 CG2 A:THR38 3.8 9.9 1.0 CB A:THR38 3.8 8.8 1.0 CG A:ASN72 4.2 11.1 0.5 OD1 A:ASN72 4.4 16.7 0.5 O A:HOH147 5.0 13.6 1.0

K.Michalska, H.Li, S.Clancy, A.Joachimiak. Crystal Structure of Hot-Dog-Like TACI_0573 Protein From Thermanaerovibrio Acidaminovorans To Be Published.