Atomistry » Chlorine » PDB 4v3y-4wcu » 4wc8
Atomistry »
  Chlorine »
    PDB 4v3y-4wcu »
      4wc8 »

Chlorine in PDB 4wc8: Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).

Protein crystallography data

The structure of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69)., PDB code: 4wc8 was solved by R.K.Spencer, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.59 / 1.91
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.048, 58.048, 112.954, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 21.9

Other elements in 4wc8:

The structure of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). also contains other interesting chemical elements:

Iodine (I) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). (pdb code 4wc8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69)., PDB code: 4wc8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4wc8

Go back to Chlorine Binding Sites List in 4wc8
Chlorine binding site 1 out of 9 in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl101

b:62.2
occ:1.00
 H B:LYS10 3.1 48.0 1.0
HG2 B:LYS10 3.2 69.5 1.0
HB2 B:ORN9 3.3 35.2 1.0
O B:HOH202 3.3 48.7 1.0
HA B:ORN9 3.3 42.7 1.0
HB3 B:ORN9 3.7 35.2 1.0
HB2 B:GLU8 3.8 50.0 1.0
CB B:ORN9 3.8 29.3 1.0
N B:LYS10 3.9 40.0 1.0
CA B:ORN9 4.0 35.6 1.0
HE2 B:LYS10 4.1 87.6 1.0
CG B:LYS10 4.1 57.9 1.0
HG3 B:LYS10 4.4 69.5 1.0
C B:ORN9 4.5 32.4 1.0
H B:GLU8 4.6 35.3 1.0
HE3 B:LYS10 4.7 87.6 1.0
CE B:LYS10 4.7 73.0 1.0
CB B:GLU8 4.7 41.6 1.0
HB3 B:LYS10 4.9 64.2 1.0
CB B:LYS10 4.9 53.5 1.0
CD B:LYS10 4.9 67.1 1.0
CA B:LYS10 4.9 40.6 1.0

Chlorine binding site 2 out of 9 in 4wc8

Go back to Chlorine Binding Sites List in 4wc8
Chlorine binding site 2 out of 9 in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:72.8
occ:1.00
 H2 E:ORN1 3.1 36.6 1.0
H1 E:ORN1 3.1 36.6 1.0
O B:HOH206 3.2 52.1 1.0
HZ1 B:LYS16 3.3 63.7 1.0
HE2 B:LYS16 3.5 61.5 1.0
HG2 E:ORN1 3.5 41.0 1.0
N E:ORN1 3.6 30.5 1.0
HA B:LYS16 3.9 37.3 1.0
NZ B:LYS16 3.9 53.1 1.0
HZ2 B:LYS16 4.0 63.7 1.0
H3 E:ORN1 4.0 36.6 1.0
HD3 B:LYS16 4.1 59.5 1.0
CE B:LYS16 4.1 51.2 1.0
O B:VAL15 4.1 34.0 1.0
HE1 B:ORN1 4.3 37.1 1.0
HB3 E:ORN1 4.5 31.8 1.0
CG E:ORN1 4.5 34.2 1.0
CD B:LYS16 4.6 49.6 1.0
O E:HOH203 4.7 46.5 1.0
HZ3 B:LYS16 4.7 63.7 1.0
CA E:ORN1 4.8 26.3 1.0
CA B:LYS16 4.8 31.1 1.0
CB E:ORN1 4.8 26.5 1.0
HG3 E:ORN1 5.0 41.0 1.0
HE3 B:LYS16 5.0 61.5 1.0

Chlorine binding site 3 out of 9 in 4wc8

Go back to Chlorine Binding Sites List in 4wc8
Chlorine binding site 3 out of 9 in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl103

b:70.6
occ:1.00
 H3 D:ORN1 2.1 36.4 1.0
HG2 D:ORN1 2.9 31.9 1.0
N D:ORN1 3.1 30.3 1.0
OE2 B:GLU8 3.2 60.3 1.0
HA D:ORN1 3.3 31.4 1.0
H2 D:ORN1 3.4 36.4 1.0
HD2 D:ORN1 3.7 27.7 1.0
H1 D:ORN1 3.7 36.4 1.0
CA D:ORN1 3.7 26.2 1.0
CG D:ORN1 3.8 26.6 1.0
OE1 B:GLU8 3.9 65.7 1.0
CD B:GLU8 4.0 55.2 1.0
CD D:ORN1 4.1 23.1 1.0
HD3 D:ORN1 4.3 27.7 1.0
CB D:ORN1 4.3 32.4 1.0
HG3 D:ORN1 4.6 31.9 1.0
HA B:GLU8 4.7 43.1 1.0
HB2 D:ORN1 4.7 38.9 1.0

Chlorine binding site 4 out of 9 in 4wc8

Go back to Chlorine Binding Sites List in 4wc8
Chlorine binding site 4 out of 9 in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl101

b:60.4
occ:1.00
 H2 F:ORN1 2.7 36.7 1.0
HA F:ORN1 2.7 32.0 1.0
HD2 F:ORN1 3.1 44.2 1.0
O F:HOH206 3.1 54.6 1.0
HH G:TYR6 3.2 60.3 1.0
N F:ORN1 3.3 30.6 1.0
H1 F:ORN1 3.4 36.7 1.0
CA F:ORN1 3.5 26.6 1.0
HG2 F:ORN1 3.5 41.1 1.0
HE1 G:TYR6 3.5 45.9 1.0
OH G:TYR6 4.0 50.2 1.0
CD F:ORN1 4.0 36.8 1.0
O F:HOH205 4.0 48.1 1.0
CG F:ORN1 4.1 34.3 1.0
H3 F:ORN1 4.2 36.7 1.0
CE1 G:TYR6 4.3 38.2 1.0
HD3 F:ORN1 4.3 44.2 1.0
CB F:ORN1 4.4 33.9 1.0
CZ G:TYR6 4.6 41.1 1.0
C F:ORN1 4.7 27.6 1.0
O F:LYS16 4.7 27.8 1.0
H F:TYR2 4.9 29.0 1.0

Chlorine binding site 5 out of 9 in 4wc8

Go back to Chlorine Binding Sites List in 4wc8
Chlorine binding site 5 out of 9 in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl102

b:70.0
occ:1.00
 H3 G:ORN1 2.8 38.3 1.0
HA G:ORN1 3.5 32.6 1.0
H2 G:ORN1 3.6 38.3 1.0
N G:ORN1 3.6 31.9 1.0
OH H:TYR6 3.7 56.7 1.0
HE1 H:TYR6 3.8 58.9 1.0
HG2 G:ORN1 3.8 46.0 1.0
HD2 G:ORN1 3.8 47.5 1.0
CA G:ORN1 4.1 27.1 1.0
HH H:TYR6 4.2 68.1 1.0
H1 G:ORN1 4.4 38.3 1.0
CE1 H:TYR6 4.5 49.0 1.0
CZ H:TYR6 4.5 51.5 1.0
CG G:ORN1 4.6 38.3 1.0
CD G:ORN1 4.6 39.6 1.0
HD3 G:ORN1 4.8 47.5 1.0
CB G:ORN1 5.0 28.0 1.0

Chlorine binding site 6 out of 9 in 4wc8

Go back to Chlorine Binding Sites List in 4wc8
Chlorine binding site 6 out of 9 in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl102

b:71.9
occ:1.00
 H2 L:ORN1 2.5 39.4 1.0
HZ2 H:LYS16 2.7 72.8 1.0
N L:ORN1 3.4 32.9 1.0
NZ H:LYS16 3.5 60.6 1.0
H3 L:ORN1 3.5 39.4 1.0
HZ3 H:LYS16 3.6 72.8 1.0
HG2 L:ORN1 3.6 39.9 1.0
H1 L:ORN1 3.6 39.4 1.0
HE2 H:LYS16 3.8 65.2 1.0
HD3 H:LYS16 4.1 62.5 1.0
HZ1 H:LYS16 4.1 72.8 1.0
CE H:LYS16 4.1 54.4 1.0
O L:HOH105 4.3 35.1 1.0
CA L:ORN1 4.6 31.6 1.0
CG L:ORN1 4.6 33.2 1.0
CD H:LYS16 4.6 52.1 1.0
HA L:ORN1 4.7 38.0 1.0

Chlorine binding site 7 out of 9 in 4wc8

Go back to Chlorine Binding Sites List in 4wc8
Chlorine binding site 7 out of 9 in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl103

b:61.8
occ:1.00
 H3 I:ORN1 2.9 45.1 1.0
HZ3 D:LYS16 2.9 74.3 1.0
H2 I:ORN1 3.1 45.1 1.0
N I:ORN1 3.5 37.6 1.0
HD3 D:LYS16 3.5 67.9 1.0
HG3 I:ORN1 3.7 42.8 1.0
H1 I:ORN1 3.8 45.1 1.0
NZ D:LYS16 3.8 61.9 1.0
HZ2 D:LYS16 4.2 74.3 1.0
HA D:LYS16 4.3 32.3 1.0
HZ1 D:LYS16 4.3 74.3 1.0
CD D:LYS16 4.3 56.6 1.0
HE2 D:LYS16 4.4 73.5 1.0
O D:VAL15 4.4 30.3 1.0
CE D:LYS16 4.4 61.2 1.0
HD2 D:LYS16 4.7 67.9 1.0
HB3 I:ORN1 4.7 41.6 1.0
CG I:ORN1 4.7 35.6 1.0
CA I:ORN1 4.8 29.1 1.0
HE1 D:ORN1 4.8 33.6 1.0
CB I:ORN1 5.0 34.7 1.0

Chlorine binding site 8 out of 9 in 4wc8

Go back to Chlorine Binding Sites List in 4wc8
Chlorine binding site 8 out of 9 in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl104

b:73.3
occ:1.00
 H1 I:ORN9 2.3 81.5 1.0
N I:ORN9 3.2 67.9 1.0
H3 I:ORN9 3.3 81.5 1.0
H2 I:ORN9 3.4 81.5 1.0
O I:ORN9 4.3 57.0 1.0
CA I:ORN9 4.4 64.8 1.0
HA I:ORN9 4.6 77.7 1.0
C I:ORN9 4.7 57.2 1.0

Chlorine binding site 9 out of 9 in 4wc8

Go back to Chlorine Binding Sites List in 4wc8
Chlorine binding site 9 out of 9 in the Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Heterogeneous Dodecamer Formed From Macrocycles Containing A Sequence From Beta-2-Microglobulin(63-69). within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl102

b:39.3
occ:0.50
 HE1 L:ORN1 2.3 37.5 1.0
HZ1 K:LYS10 2.7 63.8 1.0
HZ2 K:LYS10 2.8 63.8 1.0
NZ K:LYS10 3.2 53.1 1.0
NE L:ORN1 3.3 31.3 1.0
HD2 K:LYS10 3.3 58.5 1.0
HD3 K:LYS10 3.4 58.5 1.0
HA L:LYS16 3.4 36.1 1.0
O L:VAL15 3.6 37.4 1.0
CD K:LYS10 3.7 48.8 1.0
HD3 L:ORN1 3.7 47.5 1.0
HG12 L:VAL15 3.8 42.8 1.0
HG3 L:ORN1 3.8 39.9 1.0
HZ3 K:LYS10 3.8 63.8 1.0
CD L:ORN1 4.0 39.6 1.0
CE K:LYS10 4.1 52.2 1.0
CA L:LYS16 4.2 30.1 1.0
C L:LYS16 4.3 30.8 1.0
C L:VAL15 4.3 35.6 1.0
CG L:ORN1 4.5 33.2 1.0
N L:LYS16 4.6 25.8 1.0
HE3 K:LYS10 4.6 62.6 1.0
HE2 K:LYS10 4.7 62.6 1.0
CG1 L:VAL15 4.7 35.7 1.0

Reference:

R.K.Spencer, A.G.Kreutzer, P.J.Salveson, H.Li, J.S.Nowick. X-Ray Crystallographic Structures of Oligomers of Peptides Derived From Beta 2-Microglobulin. J.Am.Chem.Soc. 2015.
ISSN: ESSN 1520-5126
PubMed: 25915729
DOI: 10.1021/JACS.5B01673
Page generated: Fri Jul 26 02:48:35 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy