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Chlorine in PDB 2uzc: Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1

Protein crystallography data

The structure of Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1, PDB code: 2uzc was solved by G.Bunkoczi, J.Elkins, E.Salah, N.Burgess-Brown, E.Papagrigoriou, A.C.W.Pike, A.Turnbull, O.Gileadi, F.Von Delft, C.H.Arrowsmith, A.Edwards, M.Sundstrom, J.Weigelt, D.Doyle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 61.250, 36.474, 88.706, 90.00, 99.15, 90.00
R / Rfree (%) 16.3 / 21.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1 (pdb code 2uzc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1, PDB code: 2uzc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2uzc

Go back to Chlorine Binding Sites List in 2uzc
Chlorine binding site 1 out of 6 in the Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1088

b:39.1
occ:1.00
 OG B:SER31 2.9 19.1 1.0
O B:HOH2019 3.0 44.6 1.0
NE B:ARG17 3.0 26.5 1.0
NH2 B:ARG17 3.3 32.4 1.0
CB B:SER31 3.5 17.1 1.0
CZ B:ARG17 3.6 26.1 1.0
CB B:SER32 4.0 22.9 1.0
CB B:ARG17 4.0 15.6 1.0
O B:SER31 4.1 20.0 1.0
CD B:ARG17 4.1 21.8 1.0
C B:SER31 4.1 19.5 1.0
NE2 B:GLN19 4.2 23.2 0.5
NE A:ARG45 4.4 14.6 0.5
O B:HOH2032 4.4 29.7 1.0
CA B:SER31 4.5 14.4 1.0
O B:HOH2018 4.5 27.7 1.0
N B:SER32 4.6 15.7 1.0
CG B:GLN19 4.6 22.8 0.5
CG B:ARG17 4.6 20.3 1.0
CD B:GLN19 4.8 20.2 0.5
NH2 A:ARG45 4.8 18.6 0.5
O B:LEU18 4.8 16.2 1.0
CZ A:ARG45 4.9 16.3 0.5
OG B:SER32 4.9 23.7 1.0
CA B:SER32 4.9 15.9 1.0
NH1 B:ARG17 4.9 23.6 1.0

Chlorine binding site 2 out of 6 in 2uzc

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Chlorine binding site 2 out of 6 in the Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1088

b:25.9
occ:1.00
 OG C:SER31 3.0 15.2 1.0
O C:HOH2045 3.1 43.6 1.0
NE C:ARG17 3.1 19.8 1.0
NH2 C:ARG17 3.3 20.9 1.0
NE2 C:GLN19 3.4 22.9 1.0
CB C:SER31 3.5 15.1 1.0
CZ C:ARG17 3.7 22.4 1.0
O C:SER31 4.2 18.5 1.0
CB C:ARG17 4.2 16.6 1.0
CD C:ARG17 4.2 19.6 1.0
C C:SER31 4.2 17.4 1.0
CG C:GLN19 4.3 18.3 1.0
CB C:SER32 4.3 18.7 1.0
CD C:GLN19 4.3 21.3 1.0
CA C:SER31 4.6 12.9 1.0
N C:SER32 4.7 15.6 1.0
O C:HOH2023 4.7 24.8 1.0
CG C:ARG17 4.8 15.6 1.0
O C:LEU18 4.9 13.2 1.0

Chlorine binding site 3 out of 6 in 2uzc

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Chlorine binding site 3 out of 6 in the Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1088

b:30.3
occ:1.00
 O D:HOH2086 2.4 34.8 1.0
OG D:SER52 2.8 19.4 1.0
N D:GLY55 3.0 21.0 1.0
CA D:GLY55 3.6 25.5 1.0
O D:ASN78 3.6 14.6 1.0
N D:ASP54 3.6 17.9 1.0
CA D:MET79 3.7 16.2 1.0
CB D:SER52 3.8 14.7 1.0
C D:SER52 3.8 15.4 1.0
N D:THR80 3.8 12.4 1.0
C D:ASN78 3.8 12.9 1.0
C D:MET79 3.8 15.3 1.0
O D:SER52 3.9 14.2 1.0
O D:HOH2062 3.9 39.7 1.0
N D:MET79 3.9 15.8 1.0
C D:ILE53 4.0 14.3 1.0
N D:ILE53 4.0 16.1 1.0
CG2 D:THR80 4.0 14.8 0.5
C D:ASP54 4.0 21.0 1.0
OG1 D:THR80 4.1 17.2 0.5
CA D:ASP54 4.2 25.6 1.0
CA D:ILE53 4.2 15.8 1.0
CB D:ASN78 4.2 17.1 1.0
CA D:SER52 4.4 14.9 1.0
C D:GLY55 4.5 29.3 1.0
O D:MET79 4.5 15.4 1.0
CB D:THR80 4.7 14.6 0.5
OG1 D:THR80 4.7 17.6 0.5
CA D:ASN78 4.7 13.2 1.0
O D:ILE53 4.7 18.9 1.0
CB D:THR80 4.8 15.4 0.5
N D:ILE56 4.8 17.7 1.0
O D:HOH2007 4.8 30.6 1.0
CA D:THR80 4.9 13.1 1.0

Chlorine binding site 4 out of 6 in 2uzc

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Chlorine binding site 4 out of 6 in the Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1089

b:33.8
occ:1.00
 O D:HOH2046 2.8 38.6 1.0
O D:HOH2047 3.0 25.4 1.0
N D:VAL9 3.1 20.3 1.0
CA D:LEU8 3.6 16.2 1.0
CG D:LYS38 3.8 14.3 1.0
C D:LEU8 3.8 19.4 1.0
CB D:VAL9 3.9 21.5 1.0
CB D:LYS38 3.9 16.2 1.0
CA D:VAL9 4.0 20.7 1.0
CB D:LEU8 4.0 18.2 1.0
CG2 D:VAL9 4.0 27.2 1.0
O D:VAL9 4.0 19.2 1.0
CD D:LYS38 4.2 19.2 1.0
O D:HOH2050 4.2 36.7 1.0
NZ D:LYS38 4.2 37.3 1.0
CD2 D:LEU8 4.3 14.8 1.0
C D:VAL9 4.5 18.8 1.0
CA D:LYS38 4.7 16.1 1.0
O D:SER7 4.8 20.1 1.0
CG D:LEU8 4.8 16.7 1.0
CE D:LYS38 4.8 23.7 1.0
O D:LYS38 4.9 14.5 1.0
N D:LEU8 4.9 14.6 1.0
O D:HOH2017 5.0 51.1 1.0

Chlorine binding site 5 out of 6 in 2uzc

Go back to Chlorine Binding Sites List in 2uzc
Chlorine binding site 5 out of 6 in the Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1088

b:31.8
occ:1.00
 OG E:SER31 3.0 17.5 1.0
NE E:ARG17 3.1 21.3 1.0
NE2 E:GLN19 3.3 28.6 1.0
NH2 E:ARG17 3.6 29.1 1.0
CB E:SER31 3.6 17.6 1.0
CZ E:ARG17 3.8 22.9 1.0
O E:HOH2020 3.8 22.8 1.0
CB E:ARG17 4.0 16.2 1.0
CD E:ARG17 4.1 21.9 1.0
O E:SER31 4.2 17.9 1.0
CG E:GLN19 4.2 17.5 1.0
CD E:GLN19 4.2 24.4 1.0
CB E:SER32 4.3 21.3 1.0
C E:SER31 4.3 18.4 1.0
NE C:ARG45 4.3 24.1 1.0
O C:HOH2066 4.4 42.6 1.0
CG E:ARG17 4.6 19.3 1.0
CA E:SER31 4.6 16.0 1.0
N E:SER32 4.7 15.9 1.0
CD C:ARG45 4.7 16.8 1.0
O E:LEU18 4.7 16.2 1.0
CZ C:ARG45 5.0 19.5 1.0

Chlorine binding site 6 out of 6 in 2uzc

Go back to Chlorine Binding Sites List in 2uzc
Chlorine binding site 6 out of 6 in the Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Human PDLIM5 in Complex with the C-Terminal Peptide of Human Alpha-Actinin-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1089

b:27.2
occ:1.00
 OG E:SER52 2.8 23.6 1.0
N E:GLY55 3.2 23.1 1.0
O E:HOH2051 3.3 25.3 1.0
CG2 E:THR80 3.6 16.7 0.5
O E:ASN78 3.6 20.0 1.0
CB E:SER52 3.7 20.5 1.0
N E:THR80 3.7 17.0 1.0
CA E:MET79 3.7 15.8 1.0
N E:ASP54 3.7 18.0 1.0
C E:MET79 3.8 18.7 1.0
O E:SER52 3.8 16.5 1.0
C E:SER52 3.8 16.5 1.0
CA E:GLY55 3.8 27.0 1.0
C E:ASN78 3.9 15.9 1.0
N E:MET79 3.9 16.3 1.0
OG1 E:THR80 3.9 22.2 0.5
N E:ILE53 4.0 15.4 1.0
C E:ILE53 4.1 18.6 1.0
C E:ASP54 4.2 25.7 1.0
CA E:ILE53 4.2 16.6 1.0
CA E:ASP54 4.3 23.3 1.0
CA E:SER52 4.4 16.7 1.0
CB E:ASN78 4.4 20.0 1.0
O E:MET79 4.5 20.2 1.0
CB E:THR80 4.5 20.9 0.5
CB E:THR80 4.5 20.4 0.5
OG1 E:THR80 4.5 19.5 0.5
CA E:THR80 4.7 17.7 1.0
O E:HOH2071 4.7 41.4 1.0
C E:GLY55 4.8 26.0 1.0
O E:ILE53 4.8 19.4 1.0
CA E:ASN78 4.8 17.4 1.0
N E:ILE56 5.0 21.0 1.0
O E:HOH2008 5.0 34.4 1.0

Reference:

J.M.Elkins, C.Gileadi, L.Shrestha, C.Phillips, J.Wang, J.R.Muniz, D.A.Doyle. Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms. Protein Sci. V. 19 731 2010.
ISSN: ESSN 1469-896X
PubMed: 20120020
DOI: 10.1002/PRO.349
Page generated: Sat Dec 12 09:19:26 2020

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