Chlorine in PDB 6v8a: Human CTBP1 (28-375) in Complex with Amp

The structure of Human CTBP1 (28-375) in Complex with Amp, PDB code: 6v8a was solved by W.E.Royer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.55 / 2.35
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.171, 89.171, 164.17, 90, 90, 120
R / Rfree (%)	20.3 / 25.8

The structure of Human CTBP1 (28-375) in Complex with Amp also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Human CTBP1 (28-375) in Complex with Amp (pdb code 6v8a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human CTBP1 (28-375) in Complex with Amp, PDB code: 6v8a:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Human CTBP1 (28-375) in Complex with Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human CTBP1 (28-375) in Complex with Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:77.2 occ:1.00 O A:HOH653 2.6 51.0 1.0 ND1 A:HIS77 3.1 35.9 1.0 NH1 A:ARG97 3.2 49.8 1.0 CD1 A:TYR76 3.8 28.9 1.0 CE1 A:HIS77 3.8 36.2 1.0 CE2 A:TRP318 4.0 31.8 1.0 O A:ILE98 4.1 30.0 1.0 CZ A:ARG97 4.1 50.3 1.0 CB A:TYR76 4.1 31.1 1.0 NE1 A:TRP318 4.1 31.9 1.0 CZ2 A:TRP318 4.2 32.1 1.0 NH2 A:ARG97 4.2 51.2 1.0 CG A:HIS77 4.2 35.8 1.0 CG A:TYR76 4.4 30.4 1.0 CD2 A:TRP318 4.6 30.2 1.0 CB A:HIS77 4.6 35.7 1.0 N A:HIS77 4.6 35.7 1.0 CD1 A:TRP318 4.7 30.2 1.0 CH2 A:TRP318 4.7 31.3 1.0 CE1 A:TYR76 4.8 28.5 1.0 CA A:TYR76 4.8 33.2 1.0 O A:HOH544 4.8 47.3 1.0 CG A:TRP318 4.9 29.0 1.0

Chlorine binding site 2 out of 3 in the Human CTBP1 (28-375) in Complex with Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human CTBP1 (28-375) in Complex with Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:38.1 occ:1.00 OG A:SER324 2.8 31.9 1.0 O A:HOH682 3.1 56.6 1.0 NH1 A:ARG328 3.2 29.4 1.0 CB A:SER324 3.5 30.9 1.0 O A:HOH536 3.6 46.3 1.0 CD A:ARG328 3.8 30.5 1.0 CG1 A:ILE325 4.0 29.1 1.0 C A:SER324 4.0 30.7 1.0 N A:ILE325 4.1 30.0 1.0 CZ A:ARG328 4.3 29.4 1.0 O A:SER324 4.3 31.4 1.0 O A:HOH503 4.4 43.9 1.0 CG2 A:VAL40 4.4 32.7 1.0 CA A:SER324 4.4 31.3 1.0 CA A:ILE325 4.5 30.0 1.0 NE A:ARG328 4.5 29.8 1.0 O A:HOH549 4.9 52.3 1.0 CB A:ILE325 4.9 29.5 1.0 CG A:ARG328 5.0 30.8 1.0

Chlorine binding site 3 out of 3 in the Human CTBP1 (28-375) in Complex with Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human CTBP1 (28-375) in Complex with Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:31.8 occ:1.00 N A:ARG171 3.1 29.9 1.0 CA A:ALA170 3.5 32.3 1.0 O A:HOH696 3.6 46.8 1.0 C A:ALA170 3.8 30.6 1.0 O A:HOH572 3.8 48.7 1.0 CB A:ALA170 3.9 31.4 1.0 CB A:ARG171 4.0 30.8 1.0 CA A:ARG171 4.1 29.9 1.0 O A:ALA169 4.2 38.8 1.0 N A:ALA170 4.6 33.9 1.0 C A:ALA169 4.9 36.1 1.0

J.C.Nichols, C.A.Schiffer, W.E.Royer. Nad(H) Phosphates Mediate Tetramer Assembly of Human C-Terminal Binding Protein (Ctbp) J.Biol.Chem. 2021.
ISSN: ESSN 1083-351X