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Chlorine in PDB 4cc2: Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121

Protein crystallography data

The structure of Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121, PDB code: 4cc2 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) 40.06 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.750, 70.310, 38.000, 90.00, 90.00, 90.00
R / Rfree (%) 17.003 / 21.802

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121 (pdb code 4cc2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121, PDB code: 4cc2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4cc2

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Chlorine binding site 1 out of 8 in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2579

b:20.4
occ:1.00
 O A:HOH2056 3.1 30.2 1.0
NH1 A:ARG1527 3.2 17.7 1.0
N A:LYS1525 3.3 16.6 1.0
O A:HOH2015 3.5 19.7 0.3
NH2 A:ARG1527 3.7 20.1 1.0
CZ A:ARG1527 3.9 19.1 1.0
CA A:PHE1524 4.0 15.6 1.0
CB A:LYS1525 4.0 18.8 1.0
C A:PHE1524 4.1 15.8 1.0
CA A:LYS1525 4.1 17.0 1.0
O A:LYS1525 4.2 16.5 1.0
CD1 A:PHE1524 4.2 14.9 1.0
O A:THR1523 4.3 17.8 1.0
CG A:LYS1525 4.4 19.7 0.6
CG A:LYS1525 4.4 19.7 0.4
O A:HOH2014 4.6 14.6 0.6
C A:LYS1525 4.6 16.4 1.0
N A:PHE1524 4.9 16.0 1.0
CE1 A:PHE1524 4.9 15.0 1.0
CG A:PHE1524 4.9 14.3 1.0
C A:THR1523 5.0 17.1 1.0
CB A:PHE1524 5.0 14.6 1.0

Chlorine binding site 2 out of 8 in 4cc2

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Chlorine binding site 2 out of 8 in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2580

b:25.7
occ:1.00
 N A:PHE1545 3.1 14.0 1.0
NZ A:LYS1546 3.1 19.5 0.6
OE1 A:GLU1544 3.2 18.7 0.5
O C:HOH2013 3.3 30.7 1.0
CB A:PHE1545 3.8 14.0 1.0
CA A:GLU1544 3.9 14.8 0.5
CA A:GLU1544 3.9 14.6 0.5
CD1 A:PHE1545 3.9 14.9 1.0
CA A:PHE1545 3.9 13.3 1.0
C A:GLU1544 4.0 13.6 1.0
CE A:LYS1546 4.2 19.4 0.6
CB A:GLU1544 4.3 15.7 0.5
CB A:GLU1544 4.3 15.1 0.5
O A:HOH2033 4.3 31.3 0.5
CD A:LYS1546 4.3 18.3 0.4
CG A:PHE1545 4.3 14.1 1.0
CG A:LYS1546 4.4 16.6 1.0
C A:PHE1545 4.4 13.5 1.0
CD A:GLU1544 4.4 17.8 0.5
CD A:LYS1546 4.5 18.3 0.6
N A:LYS1546 4.6 13.6 1.0
CE A:LYS1546 4.8 19.2 0.4
CG A:GLU1544 4.8 17.7 0.5
OE1 A:GLU1544 4.9 20.7 0.5

Chlorine binding site 3 out of 8 in 4cc2

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Chlorine binding site 3 out of 8 in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2577

b:25.9
occ:1.00
 NH1 C:ARG1527 3.1 16.2 1.0
N C:LYS1525 3.2 16.5 1.0
O A:HOH2062 3.3 28.7 1.0
CE A:LYS1573 3.6 26.0 1.0
NH2 C:ARG1527 3.7 18.2 1.0
NZ A:LYS1573 3.8 27.2 1.0
CZ C:ARG1527 3.9 17.0 1.0
CA C:PHE1524 3.9 16.4 1.0
O A:HOH2059 4.0 30.9 1.0
CG A:LYS1573 4.0 22.0 1.0
C C:PHE1524 4.1 16.1 1.0
CD1 C:PHE1524 4.1 15.3 1.0
CB C:LYS1525 4.1 18.3 1.0
CD A:LYS1573 4.2 24.1 1.0
CA C:LYS1525 4.2 16.5 1.0
O C:THR1523 4.2 20.5 1.0
O C:LYS1525 4.2 15.3 1.0
CG C:LYS1525 4.4 20.1 1.0
CE1 A:TYR1518 4.6 17.9 1.0
C C:LYS1525 4.7 15.2 1.0
CE1 C:PHE1524 4.7 15.1 1.0
N C:PHE1524 4.8 17.6 1.0
CG C:PHE1524 4.8 15.0 1.0
OH A:TYR1518 4.8 22.7 1.0
CB C:PHE1524 4.8 15.5 1.0
CH2 A:TRP1555 4.8 12.8 1.0
C C:THR1523 4.9 19.1 1.0

Chlorine binding site 4 out of 8 in 4cc2

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Chlorine binding site 4 out of 8 in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2578

b:28.5
occ:1.00
 N C:PHE1545 3.2 14.0 1.0
NZ C:LYS1546 3.3 20.9 0.5
OE1 C:GLU1544 3.4 23.0 1.0
O C:HOH2033 3.4 34.0 0.5
CD C:LYS1546 3.5 18.1 0.5
CE C:LYS1546 3.8 19.6 0.5
CB C:PHE1545 3.9 14.8 1.0
CD1 C:PHE1545 3.9 15.0 1.0
CA C:GLU1544 4.0 15.2 1.0
CA C:PHE1545 4.0 14.2 1.0
C C:GLU1544 4.1 14.0 1.0
CE C:LYS1546 4.1 19.1 0.5
CG C:PHE1545 4.4 14.4 1.0
CG C:LYS1546 4.4 17.1 0.5
CB C:GLU1544 4.4 16.9 1.0
C C:PHE1545 4.5 14.4 1.0
CD C:GLU1544 4.6 22.1 1.0
N C:LYS1546 4.8 14.4 1.0
CD C:LYS1546 4.8 18.6 0.5
CG C:LYS1546 4.9 17.3 0.5
NZ C:LYS1546 4.9 20.5 0.5

Chlorine binding site 5 out of 8 in 4cc2

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Chlorine binding site 5 out of 8 in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2579

b:29.7
occ:1.00
 O C:HOH2031 2.6 27.9 0.6
O C:HOH2005 2.7 24.2 0.4
O C:HOH2009 2.9 22.2 1.0
N C:ILE1542 3.0 13.7 1.0
CD C:LYS1541 3.5 18.7 0.7
CD2 C:TYR1518 3.8 15.8 1.0
CA C:LYS1541 3.8 15.6 1.0
C C:LYS1541 3.9 14.4 1.0
CB C:ILE1542 4.0 13.2 1.0
CA C:ILE1542 4.0 13.3 1.0
O C:LEU1540 4.0 16.2 1.0
CE C:LYS1541 4.1 20.0 0.7
CG1 C:ILE1542 4.1 13.4 1.0
O C:ILE1542 4.2 14.4 1.0
CG C:LYS1541 4.4 16.6 0.3
CE2 C:TYR1518 4.5 16.4 1.0
C C:ILE1542 4.6 13.7 1.0
CG C:LYS1541 4.6 17.6 0.7
CB C:LYS1541 4.7 16.2 1.0
CG C:TYR1518 4.8 15.8 1.0
CB C:TYR1518 4.8 15.6 1.0
C C:LEU1540 4.8 16.3 1.0
N C:LYS1541 4.9 15.3 1.0

Chlorine binding site 6 out of 8 in 4cc2

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Chlorine binding site 6 out of 8 in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2580

b:31.6
occ:1.00
 O C:HOH2025 3.2 23.6 0.6
O C:HOH2002 3.2 41.0 1.0
N C:LYS1539 3.2 20.0 1.0
CA C:GLN1538 3.8 21.3 1.0
O C:HOH2023 3.8 24.9 0.4
CB C:LYS1539 3.8 20.9 1.0
CD C:LYS1539 3.9 24.2 1.0
C C:GLN1538 4.0 19.7 1.0
CA C:LYS1539 4.1 19.9 1.0
O C:ASN1537 4.1 23.5 1.0
CG C:GLN1538 4.1 23.6 1.0
CG C:LYS1539 4.2 22.6 1.0
CB C:GLN1538 4.5 22.1 1.0
O C:LYS1539 4.6 20.8 1.0
N C:GLN1538 4.8 21.9 1.0
O C:HOH2021 4.8 40.6 1.0
C C:ASN1537 4.8 23.0 1.0
C C:LYS1539 4.9 19.1 1.0
NZ C:LYS1539 5.0 28.0 1.0

Chlorine binding site 7 out of 8 in 4cc2

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Chlorine binding site 7 out of 8 in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2581

b:37.1
occ:1.00
 O C:HOH2016 3.2 29.2 1.0
N C:SER1533 3.3 15.1 1.0
O C:HOH2015 3.4 28.2 1.0
O A:HOH2044 3.5 15.7 1.0
CA C:LEU1532 3.9 13.8 1.0
CB C:SER1533 3.9 16.7 1.0
O C:GLU1531 3.9 13.6 1.0
OG C:SER1533 4.0 16.5 1.0
CD1 C:LEU1532 4.0 17.3 1.0
C C:LEU1532 4.1 14.2 1.0
CA C:SER1533 4.2 15.7 1.0
CB C:ALA1526 4.5 13.1 1.0
O C:HOH2018 4.7 24.6 1.0
N C:LEU1532 4.7 13.4 1.0
O C:SER1533 4.7 16.3 1.0
C C:GLU1531 4.8 13.1 1.0
CB C:LEU1532 4.8 14.3 1.0
CG C:LEU1532 4.8 15.6 1.0
CD C:LYS1562 4.8 24.4 1.0

Chlorine binding site 8 out of 8 in 4cc2

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Chlorine binding site 8 out of 8 in the Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Complex of Human Tuba C-Terminal SH3 Domain with Human N- Wasp Proline-Rich Peptide - P212121 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1014

b:22.9
occ:1.00
 OG D:SER12 3.2 24.2 1.0
ND2 C:ASN1530 3.3 16.6 1.0
ND2 C:ASN1528 3.4 16.8 1.0
N D:SER12 3.4 20.4 1.0
CB D:SER12 3.5 23.2 1.0
CD D:PRO11 3.7 17.0 1.0
CB D:ALA10 3.8 20.7 1.0
OD1 C:ASN1528 3.9 14.6 1.0
CG C:ASN1528 4.0 15.0 1.0
N D:PRO11 4.0 17.7 1.0
CA D:SER12 4.0 22.8 1.0
CB C:ASN1530 4.1 14.2 1.0
CG C:ASN1530 4.2 15.8 1.0
CG D:PRO11 4.2 16.4 1.0
CB D:PRO11 4.3 16.7 1.0
C D:PRO11 4.3 19.5 1.0
O B:HOH2011 4.4 30.6 0.5
CA D:PRO11 4.4 17.6 1.0
C D:ALA10 4.6 19.1 1.0
CA D:ALA10 4.8 20.4 1.0

Reference:

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
Page generated: Sat Dec 12 10:29:01 2020

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