Chlorine in PDB 2v9v: Crystal Structure of Moorella Thermoacetica Selb(377-511)

The structure of Crystal Structure of Moorella Thermoacetica Selb(377-511), PDB code: 2v9v was solved by O.Ganichkin, M.C.Wahl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.349, 46.087, 58.683, 90.00, 120.45, 90.00
R / Rfree (%)	12 / 14.1

The structure of Crystal Structure of Moorella Thermoacetica Selb(377-511) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Moorella Thermoacetica Selb(377-511) (pdb code 2v9v). 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 Moorella Thermoacetica Selb(377-511), PDB code: 2v9v:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Moorella Thermoacetica Selb(377-511)


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 Moorella Thermoacetica Selb(377-511) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1512 b:6.6 occ:1.00 H A:LEU407 2.4 5.0 1.0 HG A:LEU407 2.9 6.2 1.0 O A:HOH2018 3.2 8.0 1.0 N A:LEU407 3.3 5.2 1.0 HA A:SER406 3.3 5.2 1.0 HB2 A:SER406 3.3 5.5 1.0 HB2 A:LEU407 3.4 5.3 1.0 CG A:LEU407 3.7 5.9 1.0 CB A:LEU407 3.9 5.4 1.0 CA A:SER406 3.9 5.2 1.0 HD11 A:LEU407 4.0 6.8 1.0 CB A:SER406 4.0 5.8 1.0 C A:SER406 4.1 4.6 1.0 CA A:LEU407 4.2 5.1 1.0 H A:GLU408 4.3 6.0 1.0 HB3 A:SER406 4.4 5.5 1.0 CD1 A:LEU407 4.4 7.2 1.0 HD13 A:LEU407 4.6 6.8 1.0 HB3 A:LEU407 4.8 5.3 1.0 HD22 A:LEU407 4.8 6.3 1.0 HA A:LEU407 4.8 5.2 1.0 CD2 A:LEU407 4.9 6.5 1.0 N A:GLU408 5.0 6.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Moorella Thermoacetica Selb(377-511)


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 Moorella Thermoacetica Selb(377-511) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1513 b:19.7 occ:1.00 H A:ASP395 2.3 5.3 1.0 HB2 A:LEU394 2.9 7.3 1.0 O A:HOH2079 3.0 13.9 1.0 HA A:LEU394 3.1 6.6 1.0 N A:ASP395 3.1 5.4 1.0 O A:HOH2162 3.2 21.5 1.0 HB2 A:ASP395 3.2 5.6 1.0 HB3 A:ASP395 3.3 5.6 1.0 HG2 A:GLU398 3.5 8.1 1.0 CB A:ASP395 3.6 6.1 1.0 HB3 A:GLU398 3.7 7.2 1.0 CB A:LEU394 3.7 8.2 1.0 CA A:LEU394 3.7 6.7 1.0 HB2 A:GLU398 3.9 7.2 1.0 HE2 A:TYR433 3.9 8.5 1.0 C A:LEU394 3.9 5.4 1.0 CA A:ASP395 4.0 5.3 1.0 HB3 A:LEU394 4.1 7.3 1.0 CB A:GLU398 4.1 7.7 1.0 O A:HOH2310 4.2 56.5 1.0 OH A:TYR433 4.2 11.8 1.0 CE2 A:TYR433 4.3 8.3 1.0 CG A:GLU398 4.3 9.0 1.0 CZ A:TYR433 4.4 8.9 1.0 O A:HOH2110 4.5 14.8 0.5 HD11 A:LEU394 4.7 9.3 1.0 HA A:ASP395 4.7 5.4 1.0 O A:HOH2075 4.7 15.7 1.0 O A:ASP395 4.8 6.0 1.0 CG A:LEU394 4.8 8.6 1.0 HG3 A:GLU398 4.9 8.1 1.0 HG A:LEU394 4.9 8.9 1.0 O A:HOH2110 5.0 11.3 0.5 O A:GLY393 5.0 8.6 1.0 C A:ASP395 5.0 5.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Moorella Thermoacetica Selb(377-511)


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 Moorella Thermoacetica Selb(377-511) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1514 b:14.7 occ:1.00 HH12 A:ARG494 2.3 11.7 1.0 HH22 A:ARG494 2.7 10.1 1.0 HG2 A:GLN441 2.9 9.7 1.0 O A:HOH2193 3.0 25.1 1.0 NH1 A:ARG494 3.1 12.7 1.0 HA A:GLN441 3.2 5.6 1.0 O A:HOH2066 3.3 14.1 1.0 HE2 A:TYR440 3.3 8.6 1.0 O A:HOH2216 3.3 23.0 1.0 HB3 A:TRP444 3.5 4.9 1.0 NH2 A:ARG494 3.5 10.4 1.0 HH11 A:ARG494 3.7 11.7 1.0 HD2 A:TYR440 3.7 8.8 1.0 CZ A:ARG494 3.8 9.5 1.0 CG A:GLN441 3.8 9.2 1.0 HD1 A:TRP444 3.8 7.3 1.0 HB2 A:TRP444 3.8 4.9 1.0 CB A:TRP444 4.0 5.4 1.0 CE2 A:TYR440 4.0 10.9 1.0 CA A:GLN441 4.2 5.2 1.0 HG3 A:GLN441 4.2 9.7 1.0 CD1 A:TRP444 4.2 7.5 1.0 HH21 A:ARG494 4.2 10.1 1.0 CD2 A:TYR440 4.2 9.3 1.0 CG A:TRP444 4.2 5.9 1.0 CB A:GLN441 4.4 6.9 1.0 HB3 A:GLN441 4.4 6.1 1.0 CD A:GLN441 4.6 13.6 1.0 OE1 A:GLN441 4.7 17.1 1.0 HE1 A:TRP489 4.7 8.8 1.0 O A:HOH2208 4.7 27.3 1.0 N A:GLN441 4.9 5.3 1.0 O A:GLN441 4.9 5.8 1.0 O A:TYR440 5.0 5.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Moorella Thermoacetica Selb(377-511)


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 Moorella Thermoacetica Selb(377-511) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1515 b:19.2 occ:1.00 O A:HOH2294 2.2 21.6 1.0 H A:ARG476 2.3 6.4 1.0 HB2 A:ARG476 3.0 6.0 1.0 O A:HOH2048 3.0 10.6 1.0 H A:SER475 3.0 6.2 0.5 H A:SER475 3.0 6.9 0.5 N A:ARG476 3.1 6.0 1.0 HD3 A:ARG476 3.2 7.4 1.0 HG3 A:ARG476 3.2 6.9 1.0 O A:HOH2136 3.3 17.2 0.5 N A:SER475 3.3 6.7 0.5 N A:SER475 3.3 6.1 0.5 O A:HOH2029 3.3 9.6 1.0 HA A:PHE474 3.4 5.5 1.0 O A:HOH2057 3.4 12.9 1.0 HB2 A:SER475 3.5 9.1 0.5 CB A:ARG476 3.6 5.7 1.0 CG A:ARG476 3.7 7.2 1.0 C A:PHE474 3.7 5.9 1.0 O A:TYR473 3.7 8.9 1.0 OG A:SER475 3.8 9.5 0.5 CD A:ARG476 3.9 7.7 1.0 CA A:PHE474 3.9 5.5 1.0 CA A:ARG476 4.0 5.9 1.0 CA A:SER475 4.0 8.1 0.5 HD13 A:LEU477 4.1 7.7 1.0 C A:SER475 4.1 7.2 0.5 C A:SER475 4.1 6.7 0.5 CA A:SER475 4.1 6.9 0.5 C A:TYR473 4.2 6.8 1.0 N A:PHE474 4.2 5.6 1.0 H A:LEU477 4.2 6.2 1.0 CB A:SER475 4.2 9.2 0.5 HD2 A:ARG476 4.2 7.4 1.0 HD11 A:LEU477 4.3 7.7 1.0 O A:PHE474 4.4 6.5 1.0 HG A:SER475 4.4 9.0 0.5 O A:HOH2136 4.5 14.2 0.5 HB3 A:ARG476 4.5 6.0 1.0 CB A:SER475 4.6 7.9 0.5 CD1 A:LEU477 4.6 7.8 1.0 HG2 A:ARG476 4.6 6.9 1.0 HH21 A:ARG439 4.6 7.4 0.5 HH21 A:ARG391 4.6 9.1 1.0 H A:PHE474 4.7 5.9 1.0 HA A:ARG476 4.7 5.9 1.0 N A:LEU477 4.8 6.0 1.0 HD12 A:LEU477 4.8 7.7 1.0 C A:ARG476 4.8 6.1 1.0 HB3 A:SER475 4.8 9.1 0.5 HG3 A:GLU392 4.9 7.7 1.0 HH22 A:ARG391 4.9 9.1 1.0 NH2 A:ARG391 4.9 8.5 1.0 HB3 A:SER475 4.9 7.5 0.5 HA A:SER475 4.9 7.9 0.5 OE1 A:GLU392 5.0 8.6 1.0 HH22 A:ARG439 5.0 7.4 0.5

O.Ganichkin, M.C.Wahl. Conformational Switches in Winged-Helix Domains 1 and 2 of Bacterial Translation Elongation Factor Selb. Acta Crystallogr.,Sect.D V. 63 1075 2007.
ISSN: ISSN 0907-4449
PubMed: 17881825
DOI: 10.1107/S0907444907042229