Chlorine in PDB 5c5v: Recombinant Inorganic Pyrophosphatase From T Brucei Brucei

The structure of Recombinant Inorganic Pyrophosphatase From T Brucei Brucei, PDB code: 5c5v was solved by A.Jamwal, M.Yogavel, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.83 / 2.35
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.210, 104.210, 215.513, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 23.8

The structure of Recombinant Inorganic Pyrophosphatase From T Brucei Brucei also contains other interesting chemical elements:

Magnesium	(Mg)	8 atoms
Bromine	(Br)	1 atom

The binding sites of Chlorine atom in the Recombinant Inorganic Pyrophosphatase From T Brucei Brucei (pdb code 5c5v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Recombinant Inorganic Pyrophosphatase From T Brucei Brucei, PDB code: 5c5v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Recombinant Inorganic Pyrophosphatase From T Brucei Brucei


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Recombinant Inorganic Pyrophosphatase From T Brucei Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:57.8 occ:1.00 O A:HOH668 3.1 58.6 1.0 O A:HOH700 3.1 60.6 1.0 NE2 A:GLN372 3.2 65.0 1.0 NH2 A:ARG259 3.2 52.9 1.0 NE A:ARG259 3.4 55.3 1.0 CG A:GLN372 3.7 63.8 1.0 CZ A:ARG259 3.8 54.2 1.0 CD1 A:TYR261 3.8 55.8 1.0 CD A:GLN372 3.9 65.0 1.0 CA A:TYR261 4.3 58.9 1.0 CE1 A:TYR261 4.4 54.7 1.0 N A:LYS262 4.5 61.2 1.0 CD A:ARG259 4.6 56.6 1.0 CD1 A:TYR368 4.6 57.3 1.0 O A:PHE260 4.6 57.4 1.0 CG A:LYS369 4.7 59.2 1.0 CE1 A:TYR368 4.7 57.1 1.0 CG A:ARG259 4.7 57.9 1.0 CB A:GLN372 4.7 63.2 1.0 CD A:LYS254 4.8 62.8 1.0 CG A:TYR261 4.8 56.1 1.0 O A:TYR368 4.9 59.8 1.0 CB A:TYR261 5.0 57.3 1.0 C A:TYR261 5.0 59.8 1.0 N A:TYR261 5.0 59.6 1.0

Chlorine binding site 2 out of 6 in the Recombinant Inorganic Pyrophosphatase From T Brucei Brucei


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Recombinant Inorganic Pyrophosphatase From T Brucei Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:77.7 occ:1.00 O A:HOH671 2.7 65.7 1.0 NE A:ARG213 3.3 64.9 1.0 O A:HOH690 3.3 65.7 1.0 NH2 A:ARG213 3.4 65.2 1.0 CB A:MET221 3.6 67.1 1.0 CA A:MET221 3.8 66.2 1.0 CZ A:ARG213 3.8 66.0 1.0 CG A:MET221 4.0 69.5 1.0 CD A:LYS215 4.2 64.5 1.0 NZ A:LYS215 4.3 61.8 1.0 CD A:ARG213 4.4 65.0 1.0 N A:ASN222 4.5 60.4 1.0 C A:MET221 4.7 64.4 1.0 CE A:LYS215 4.8 62.7 1.0 N A:MET221 4.8 67.0 1.0 CB A:ARG223 4.8 57.9 1.0 O A:VAL208 4.9 59.8 1.0

Chlorine binding site 3 out of 6 in the Recombinant Inorganic Pyrophosphatase From T Brucei Brucei


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Recombinant Inorganic Pyrophosphatase From T Brucei Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:74.0 occ:1.00 NZ A:LYS407 3.0 60.7 1.0 O A:HIS202 3.4 52.6 1.0 CH2 A:TRP402 4.0 55.3 1.0 CE A:LYS407 4.2 60.5 1.0 OD1 A:ASP203 4.2 56.3 1.0 CZ2 A:TRP402 4.2 55.2 1.0 NE2 A:GLN275 4.3 53.8 1.0 C A:HIS202 4.4 52.5 1.0 CD2 A:LEU406 4.4 57.8 1.0 CA A:ASP203 4.9 54.0 1.0 CB A:HIS202 5.0 54.0 1.0

Chlorine binding site 4 out of 6 in the Recombinant Inorganic Pyrophosphatase From T Brucei Brucei


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Recombinant Inorganic Pyrophosphatase From T Brucei Brucei within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:70.7 occ:1.00 NZ B:LYS314 3.0 58.6 1.0 NZ B:LYS388 3.8 58.7 1.0 CA B:LYS345 3.8 60.7 1.0 CE B:LYS314 3.9 57.5 1.0 CB B:LYS345 3.9 61.6 1.0 CG B:LYS345 4.0 62.2 1.0 CD B:LYS314 4.1 57.7 1.0 O B:LYS345 4.1 61.0 1.0 O B:MET344 4.3 61.6 1.0 C B:LYS345 4.5 60.3 1.0 CD B:LYS345 4.7 63.4 1.0 N B:LYS345 4.9 60.6 1.0 C B:MET344 5.0 61.5 1.0

Chlorine binding site 5 out of 6 in the Recombinant Inorganic Pyrophosphatase From T Brucei Brucei


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Recombinant Inorganic Pyrophosphatase From T Brucei Brucei within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:64.5 occ:1.00 NE2 B:GLN372 3.0 67.6 1.0 O B:HOH644 3.1 63.1 1.0 NE B:ARG259 3.3 64.3 1.0 NH2 B:ARG259 3.4 64.1 1.0 CG B:GLN372 3.8 68.6 1.0 CZ B:ARG259 3.8 64.4 1.0 CD B:GLN372 3.9 68.2 1.0 CD1 B:TYR261 3.9 61.9 1.0 CA B:TYR261 4.2 61.2 1.0 O B:PHE260 4.4 62.9 1.0 N B:LYS262 4.5 63.7 1.0 CD B:ARG259 4.5 64.0 1.0 CE1 B:TYR261 4.6 61.3 1.0 CG B:ARG259 4.6 63.4 1.0 CD B:LYS254 4.6 70.1 1.0 CD1 B:TYR368 4.6 61.9 1.0 CE B:LYS254 4.8 70.6 1.0 CE1 B:TYR368 4.8 61.4 1.0 CB B:GLN372 4.8 69.0 1.0 CG B:TYR261 4.8 60.7 1.0 N B:TYR261 4.8 60.4 1.0 C B:TYR261 4.9 61.1 1.0 O B:TYR368 4.9 64.3 1.0 CB B:TYR261 4.9 60.5 1.0 CG B:LYS369 4.9 65.2 1.0 C B:PHE260 5.0 62.0 1.0

Chlorine binding site 6 out of 6 in the Recombinant Inorganic Pyrophosphatase From T Brucei Brucei


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Recombinant Inorganic Pyrophosphatase From T Brucei Brucei within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl508 b:68.1 occ:1.00 OG B:SER279 3.2 65.2 1.0 CB B:SER279 3.8 64.0 1.0 CG2 B:VAL282 4.0 66.4 1.0 CG B:MET401 4.1 61.1 1.0 CB B:MET401 4.1 61.5 1.0 CZ3 B:TRP277 4.2 63.1 1.0 CA B:MET401 4.2 62.1 1.0 ND2 B:ASN404 4.3 66.1 1.0 O B:MET401 4.5 64.2 1.0 CB B:ASN404 4.5 64.5 1.0 CB B:GLU281 4.6 67.7 1.0 CG B:ASN404 4.6 65.6 1.0 CE3 B:TRP277 4.7 62.4 1.0 C B:MET401 4.8 63.1 1.0

A.Jamwal, A.R.Round, L.Bannwarth, C.Venien-Bryan, H.Belrhali, M.Yogavel, A.Sharma. Structural and Functional Highlights of Vacuolar Soluble Protein 1 From Pathogen Trypanosoma Brucei Brucei J.Biol.Chem. V. 290 30498 2015.
ISSN: ESSN 1083-351X
PubMed: 26494625
DOI: 10.1074/JBC.M115.674176