Chlorine in PDB 2x5x: The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode

The structure of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode, PDB code: 2x5x was solved by S.Wakadkar, S.Hermawan, D.Jendrossek, A.C.Papageorgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	49.630, 140.580, 56.750, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 17.6

The structure of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode also contains other interesting chemical elements:

Iodine	(I)	8 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode (pdb code 2x5x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode, PDB code: 2x5x:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1351 b:18.1 occ:1.00 O A:HOH2389 3.3 27.6 1.0 N A:GLY205 3.4 22.6 1.0 CB A:TYR204 4.0 20.1 1.0 CA A:GLY205 4.2 25.0 1.0 C A:TYR204 4.5 20.7 1.0 CG1 A:VAL206 4.5 19.0 1.0 C A:GLY205 4.7 20.2 1.0 O A:TYR203 4.9 14.5 1.0 CA A:TYR204 4.9 17.4 1.0 N A:VAL206 4.9 16.6 1.0

Chlorine binding site 2 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1352 b:13.2 occ:1.00 O A:HOH2254 2.6 34.4 1.0 O A:HOH2246 3.2 27.5 1.0 O A:HOH2508 3.3 41.4 1.0 N A:MET291 3.6 11.0 1.0 N A:ALA101 3.8 9.6 1.0 O A:GLY99 3.9 18.7 1.0 O A:HOH2249 4.0 48.9 1.0 CB A:ALA101 4.0 11.1 1.0 CA A:GLY290 4.0 14.0 1.0 OE1 A:GLN102 4.2 15.1 1.0 CB A:MET291 4.3 15.0 0.5 CE1 A:TYR293 4.3 24.7 1.0 C A:GLY290 4.3 12.4 1.0 CB A:MET291 4.4 13.2 0.5 C A:GLY99 4.4 11.3 1.0 CA A:ALA101 4.5 10.2 1.0 CA A:SER100 4.5 11.4 0.5 CA A:MET291 4.5 13.4 0.5 CA A:MET291 4.6 12.6 0.5 CA A:SER100 4.7 11.4 0.5 C A:SER100 4.7 10.1 1.0 N A:SER100 4.7 11.1 1.0 O A:MET291 4.9 16.4 1.0

Chlorine binding site 3 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1353 b:14.3 occ:1.00 O A:HOH2269 3.4 39.1 1.0 N A:ASN294 3.6 17.7 1.0 N A:ALA295 3.9 16.9 1.0 C A:ASN294 3.9 16.9 1.0 O A:HOH2501 3.9 55.2 1.0 CA A:PRO292 3.9 14.7 1.0 CB A:ASN294 3.9 21.9 1.0 CA A:ASN294 4.0 20.1 1.0 C A:PRO292 4.1 14.9 1.0 O A:HOH2511 4.2 47.8 1.0 N A:TYR293 4.3 19.2 1.0 O A:ASN294 4.5 23.5 1.0 O A:PRO292 4.5 17.9 1.0 CB A:PRO292 4.5 17.0 1.0 CB A:ALA295 4.5 15.9 1.0 CA A:ALA295 4.6 15.9 1.0 C A:TYR293 4.8 18.3 1.0 O A:MET291 4.8 16.4 1.0 CG A:ASN294 4.9 23.6 1.0 CE1 A:TYR285 4.9 22.9 1.0 ND2 A:ASN294 5.0 34.3 1.0

Chlorine binding site 4 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1354 b:15.4 occ:1.00 N A:GLY65 3.3 14.0 1.0 OD1 A:ASN62 3.8 15.6 1.0 CA A:GLY65 3.8 19.8 1.0 O A:HOH2168 3.8 68.8 1.0 N A:GLY67 3.9 24.3 0.5 N A:TYR66 4.0 18.5 1.0 N A:GLY67 4.0 23.9 0.5 ND2 A:ASN62 4.1 12.0 1.0 C A:GLY65 4.1 21.4 1.0 O A:VAL63 4.2 10.8 1.0 C A:SER64 4.3 11.6 1.0 CG A:ASN62 4.4 11.3 1.0 CA A:GLY67 4.4 23.9 0.5 CA A:GLY67 4.4 21.8 0.5 CA A:SER64 4.5 11.3 0.5 CA A:SER64 4.5 11.4 0.5 C A:TYR66 4.8 22.4 1.0

Chlorine binding site 5 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1355 b:17.4 occ:1.00 O A:HOH2109 3.5 29.9 1.0 N A:ASP84 3.6 7.9 1.0 O A:HOH2100 3.6 58.3 1.0 CB A:ASN83 3.9 10.2 1.0 OD2 A:ASP84 4.0 16.7 1.0 CB A:ASP84 4.0 8.7 1.0 SG A:CYS36 4.2 14.9 1.0 CG A:ASP84 4.2 10.5 1.0 CA A:ASN83 4.3 7.6 1.0 CB A:CYS36 4.4 15.1 1.0 C A:ASN83 4.4 6.7 1.0 CA A:ASP84 4.4 7.4 1.0 CE A:LYS78 4.7 14.0 1.0 O A:SER35 4.8 20.8 1.0 NZ A:LYS78 4.8 13.5 1.0 O A:HOH2197 4.9 58.6 1.0 CG A:ASN83 4.9 8.4 1.0

Chlorine binding site 6 out of 6 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1356 b:30.8 occ:1.00 O A:TYR204 2.7 28.0 1.0 O A:HOH2392 3.6 28.0 1.0 C A:TYR204 3.7 20.7 1.0 CB A:TRP202 3.9 17.5 1.0 CA A:TYR204 4.0 17.4 1.0 N A:TYR204 4.1 17.6 1.0 O A:HOH2393 4.1 51.2 1.0 CE3 A:TRP202 4.4 18.6 1.0 CG A:TRP202 4.5 16.9 1.0 CD2 A:TRP202 4.6 17.5 1.0 N A:GLY205 4.8 22.6 1.0 CA A:GLY205 4.8 25.0 1.0 N A:TYR203 4.9 14.5 1.0 C A:TYR203 4.9 15.0 1.0 C A:TRP202 4.9 14.9 1.0 CA A:TRP202 5.0 14.3 1.0

S.Wakadkar, S.Hermawan, D.Jendrossek, A.C.Papageorgiou. The Structure of PHAZ7 at Atomic (1.2 A) Resolution Reveals Details of the Active Site and Suggests A Substrate-Binding Mode. Acta Crystallogr. Sect. F V. 66 648 2010STRUCT. Biol. Cryst. Commun..
ISSN: ESSN 1744-3091
PubMed: 20516591
DOI: 10.1107/S174430911001434X