Chlorine in PDB 4cc7: Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41

The structure of Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41, PDB code: 4cc7 was solved by L.Polle, L.Rigano, R.Julian, K.Ireton, W.-D.Schubert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.59 / 1.97
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	88.570, 88.570, 69.730, 90.00, 90.00, 90.00
R / Rfree (%)	17.61 / 21.459

The structure of Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 (pdb code 4cc7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41, PDB code: 4cc7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


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 the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2576 b:43.2 occ:1.00 OG A:SER1533 3.2 47.4 1.0 N A:SER1533 3.2 39.7 1.0 CB A:SER1533 3.5 47.5 1.0 O A:HOH2004 3.5 34.7 1.0 CA A:SER1533 3.9 43.1 1.0 CB A:ALA1526 4.0 41.2 1.0 O A:GLU1531 4.1 35.1 1.0 C A:LEU1532 4.2 37.4 1.0 CA A:LEU1532 4.2 34.8 1.0 CD2 A:LEU1532 4.5 38.9 0.3 O A:SER1533 4.9 45.9 1.0 C A:GLU1531 4.9 34.1 1.0 C A:SER1533 5.0 44.9 1.0 CD1 A:LEU1532 5.0 39.5 0.7 N A:LEU1532 5.0 32.6 1.0

Chlorine binding site 2 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


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 the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2577 b:44.1 occ:1.00 N A:PHE1545 3.1 29.0 1.0 O C:HOH2009 3.2 43.6 1.0 OE1 A:GLU1544 3.3 54.0 0.7 NZ A:LYS1546 3.4 44.8 0.5 OE1 A:GLU1544 3.5 37.1 0.3 CD A:GLU1544 3.7 46.5 0.7 OE2 A:GLU1544 3.8 44.7 0.7 CB A:PHE1545 3.8 27.7 1.0 CD2 A:PHE1545 3.8 32.0 1.0 CA A:PHE1545 4.0 26.4 1.0 CE A:LYS1546 4.0 43.0 0.5 CE A:LYS1546 4.0 42.8 0.5 CA A:GLU1544 4.0 33.0 1.0 C A:GLU1544 4.1 29.5 1.0 CG A:PHE1545 4.3 28.9 1.0 CB A:GLU1544 4.4 36.8 0.7 CG A:LYS1546 4.4 33.9 1.0 CB A:GLU1544 4.4 33.0 0.3 C A:PHE1545 4.5 26.5 1.0 CD A:GLU1544 4.5 36.9 0.3 N A:LYS1546 4.7 26.4 1.0 CD A:LYS1546 4.7 38.6 0.5 CD A:LYS1546 4.7 38.7 0.5 CG A:GLU1544 4.7 44.3 0.7 NZ A:LYS1546 4.9 47.7 0.5 CE2 A:PHE1545 4.9 35.1 1.0

Chlorine binding site 3 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


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 the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2579 b:40.8 occ:1.00 O C:HOH2007 2.9 42.7 1.0 NH1 C:ARG1527 3.1 30.9 1.0 N C:LYS1525 3.3 29.3 1.0 NH2 C:ARG1527 3.5 33.6 1.0 CZ C:ARG1527 3.8 30.9 1.0 CA C:PHE1524 3.9 29.6 1.0 O C:HOH2006 4.0 41.3 1.0 CB C:LYS1525 4.0 32.7 1.0 CE2 A:TYR1518 4.1 42.6 1.0 O A:HOH2020 4.1 35.5 1.0 C C:PHE1524 4.1 30.1 1.0 OH A:TYR1518 4.1 50.5 1.0 CD1 C:PHE1524 4.1 27.4 1.0 CA C:LYS1525 4.2 29.1 1.0 O C:LYS1525 4.2 28.0 1.0 O C:THR1523 4.2 32.2 1.0 CG C:LYS1525 4.3 35.7 1.0 CH2 A:TRP1555 4.5 27.6 1.0 CZ A:TYR1518 4.6 43.8 1.0 C C:LYS1525 4.7 27.9 1.0 N C:PHE1524 4.8 31.9 1.0 CE1 C:PHE1524 4.8 27.6 1.0 CG C:PHE1524 4.8 26.9 1.0 CB C:PHE1524 4.8 27.6 1.0 C C:THR1523 4.8 33.9 1.0 OH C:TYR1570 4.9 35.9 1.0

Chlorine binding site 4 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


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 the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2580 b:42.3 occ:1.00 N C:PHE1545 3.1 26.3 1.0 OE1 C:GLU1544 3.5 53.5 1.0 O E:HOH2008 3.5 46.8 1.0 OE2 C:GLU1544 3.6 42.5 1.0 O C:HOH2023 3.7 43.9 0.5 CD C:GLU1544 3.7 46.6 1.0 CB C:PHE1545 3.7 28.1 1.0 CD2 C:PHE1545 3.8 31.1 1.0 CA C:PHE1545 3.9 26.5 1.0 CE C:LYS1546 3.9 43.1 1.0 CA C:GLU1544 4.0 29.6 1.0 C C:GLU1544 4.0 26.4 1.0 CG C:PHE1545 4.3 30.5 1.0 CB C:GLU1544 4.4 33.3 1.0 CG C:LYS1546 4.4 32.4 1.0 C C:PHE1545 4.4 25.0 1.0 O C:HOH2024 4.6 59.7 1.0 N C:LYS1546 4.6 24.9 1.0 CD C:LYS1546 4.7 38.3 1.0 CG C:GLU1544 4.7 45.0 1.0 NZ C:LYS1546 4.8 53.2 1.0 CE2 C:PHE1545 4.9 33.3 1.0

Chlorine binding site 5 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2581 b:47.6 occ:0.80 NZ C:LYS1562 3.1 49.4 0.5 N C:SER1533 3.1 26.7 1.0 O C:HOH2013 3.3 36.2 0.5 CA C:LEU1532 3.8 27.9 1.0 OG C:SER1533 3.8 28.4 1.0 CB C:SER1533 3.8 28.5 1.0 C C:LEU1532 3.9 25.6 1.0 CD1 C:LEU1532 3.9 34.0 1.0 O A:HOH2014 3.9 43.4 1.0 O C:GLU1531 4.0 25.3 1.0 CA C:SER1533 4.0 26.7 1.0 CD C:LYS1562 4.2 52.6 0.5 CE C:LYS1562 4.2 54.3 0.5 CB C:ALA1526 4.4 24.5 1.0 O C:SER1533 4.5 27.4 1.0 CG C:LEU1532 4.6 31.1 1.0 CB C:LEU1532 4.7 27.4 1.0 N C:LEU1532 4.7 24.9 1.0 C C:GLU1531 4.7 24.7 1.0 C C:SER1533 4.8 27.7 1.0 O C:HOH2014 4.9 41.3 1.0

Chlorine binding site 6 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2577 b:39.5 occ:1.00 NH1 E:ARG1527 3.0 28.5 1.0 O C:HOH2044 3.2 37.2 1.0 N E:LYS1525 3.3 28.8 1.0 NH2 E:ARG1527 3.6 30.4 1.0 O3 C:GOL2578 3.7 33.9 1.0 CZ E:ARG1527 3.7 29.4 1.0 CA E:PHE1524 3.8 28.2 1.0 CB E:LYS1525 4.0 32.2 1.0 C E:PHE1524 4.1 28.8 1.0 CA E:LYS1525 4.1 29.3 1.0 O E:HOH2005 4.1 36.9 1.0 CD1 E:PHE1524 4.2 26.5 1.0 O E:LYS1525 4.2 28.6 1.0 O E:THR1523 4.2 30.3 1.0 CE2 C:TYR1518 4.2 29.4 1.0 CG E:LYS1525 4.2 36.1 1.0 OH C:TYR1518 4.5 33.9 1.0 C3 C:GOL2578 4.5 60.0 1.0 C E:LYS1525 4.7 28.2 1.0 N E:PHE1524 4.7 29.3 1.0 CH2 C:TRP1555 4.7 26.3 1.0 CB E:PHE1524 4.8 27.3 1.0 CG E:PHE1524 4.8 27.0 1.0 C E:THR1523 4.8 30.9 1.0 CE1 E:PHE1524 4.8 26.6 1.0 CZ C:TYR1518 4.9 31.7 1.0 CD1 F:LEU5 4.9 38.5 1.0

Chlorine binding site 7 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2578 b:49.4 occ:0.70 NZ E:LYS1562 2.8 59.6 0.5 N E:SER1533 3.1 29.5 1.0 NZ E:LYS1562 3.2 61.9 0.5 CA E:LEU1532 3.8 28.2 1.0 CB E:SER1533 3.9 30.6 1.0 CD1 E:LEU1532 3.9 36.6 1.0 OG E:SER1533 3.9 29.9 1.0 O E:HOH2010 3.9 56.5 1.0 O E:HOH2001 3.9 39.9 0.5 C E:LEU1532 4.0 28.5 1.0 O E:GLU1531 4.1 27.1 1.0 CA E:SER1533 4.1 30.1 1.0 O C:HOH2033 4.1 42.2 1.0 CE E:LYS1562 4.1 63.1 0.5 CE E:LYS1562 4.1 59.5 0.5 O E:SER1533 4.5 31.4 1.0 CB E:ALA1526 4.6 27.6 1.0 CG E:LEU1532 4.6 34.4 1.0 CB E:LEU1532 4.7 30.5 1.0 N E:LEU1532 4.8 27.2 1.0 O E:HOH2013 4.8 40.8 1.0 C E:SER1533 4.8 31.4 1.0 C E:GLU1531 4.8 26.5 1.0 O E:HOH2011 4.9 41.6 0.7

Chlorine binding site 8 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl2577 b:40.0 occ:0.70 O I:HOH2020 2.7 44.1 1.0 N G:LYS1573 3.1 38.1 1.0 O G:HOH2029 3.2 43.5 0.5 NH2 I:ARG1527 3.3 37.0 1.0 CD G:ARG1572 3.6 43.3 1.0 CA G:ARG1572 3.6 35.1 1.0 CB G:LYS1573 3.8 44.6 1.0 C G:ARG1572 3.8 36.7 1.0 CL I:CL2576 4.0 49.3 1.0 CB G:ARG1572 4.0 38.4 1.0 CA G:LYS1573 4.0 41.9 1.0 OH I:TYR1570 4.0 41.7 1.0 CD1 J:LEU5 4.1 49.9 1.0 CG J:LEU5 4.2 47.4 1.0 CZ I:ARG1527 4.2 35.9 1.0 CG G:ARG1572 4.4 40.5 1.0 NH1 I:ARG1527 4.5 34.7 1.0 O G:ILE1571 4.6 30.6 1.0 CD2 J:LEU5 4.6 44.8 1.0 NE G:ARG1572 4.8 45.5 1.0 N G:ARG1572 4.9 32.1 1.0 N G:THR1574 5.0 46.3 1.0 CG G:LYS1573 5.0 48.6 1.0

Chlorine binding site 9 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl2578 b:50.0 occ:1.00 O G:HOH2006 2.7 44.7 1.0 NH1 G:ARG1527 3.0 33.2 1.0 N G:LYS1525 3.1 32.9 1.0 O E:HOH2028 3.6 38.1 1.0 NH2 G:ARG1527 3.8 35.3 1.0 CA G:PHE1524 3.8 32.7 1.0 CZ G:ARG1527 3.8 34.0 1.0 CB G:LYS1525 3.8 34.6 1.0 C G:PHE1524 4.0 33.1 1.0 CA G:LYS1525 4.0 32.6 1.0 O G:LYS1525 4.1 30.4 1.0 CG G:LYS1525 4.1 37.2 1.0 O G:THR1523 4.1 35.5 1.0 O G:HOH2007 4.2 48.1 1.0 CD1 G:PHE1524 4.3 32.0 1.0 CE2 E:TYR1518 4.4 38.2 1.0 OH E:TYR1518 4.5 41.8 1.0 C G:LYS1525 4.5 31.2 1.0 N G:PHE1524 4.7 33.6 1.0 CH2 E:TRP1555 4.7 30.9 1.0 C G:THR1523 4.8 35.1 1.0 CB G:PHE1524 4.8 31.8 1.0 CG G:PHE1524 4.9 31.8 1.0 CZ E:TYR1518 5.0 40.0 1.0 CE1 G:PHE1524 5.0 33.1 1.0

Chlorine binding site 10 out of 17 in the Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Sixth or C-Terminal SH3 Domain of Human Tuba in Complex with Proline-Rich Peptides of N-Wasp. Space Group P41 within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl2576 b:49.3 occ:1.00 O I:HOH2020 2.9 44.1 1.0 N I:LYS1525 3.2 35.8 1.0 NH1 I:ARG1527 3.2 34.7 1.0 NH2 I:ARG1527 3.7 37.0 1.0 CB I:LYS1525 3.8 40.2 1.0 OH G:TYR1518 3.9 49.2 1.0 CZ I:ARG1527 3.9 35.9 1.0 CE2 G:TYR1518 3.9 40.5 1.0 CA I:PHE1524 3.9 34.2 1.0 CL G:CL2577 4.0 40.0 0.7 CG I:LYS1525 4.0 41.4 0.5 C I:PHE1524 4.0 35.4 1.0 CG I:LYS1525 4.1 41.0 0.5 O I:THR1523 4.1 34.3 1.0 CA I:LYS1525 4.1 36.6 1.0 O I:LYS1525 4.3 34.6 1.0 CZ G:TYR1518 4.4 43.5 1.0 CD1 I:PHE1524 4.5 35.8 1.0 CH2 G:TRP1555 4.6 33.9 1.0 C I:THR1523 4.7 34.9 1.0 N I:PHE1524 4.7 33.8 1.0 C I:LYS1525 4.7 36.4 1.0 CB I:PHE1524 4.9 34.4 1.0

L.Polle, L.A.Rigano, R.Julian, K.Ireton, W.Schubert. Structural Details of Human Tuba Recruitment By Inlc of Listeria Monocytogenes Elucidate Bacterial Cell-Cell Spreading. Structure V. 22 304 2014.
ISSN: ISSN 0969-2126
PubMed: 24332715
DOI: 10.1016/J.STR.2013.10.017