Atomistry » Chlorine » PDB 4oz2-4p8p » 4p4w
Atomistry »
  Chlorine »
    PDB 4oz2-4p8p »
      4p4w »

Chlorine in PDB 4p4w: Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk

Protein crystallography data

The structure of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk, PDB code: 4p4w was solved by R.K.Spencer, A.Kreutzer, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.53 / 1.50
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 58.193, 58.193, 121.279, 90.00, 90.00, 120.00
R / Rfree (%) 17.5 / 20.9

Other elements in 4p4w:

The structure of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk also contains other interesting chemical elements:

Iodine (I) 14 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk (pdb code 4p4w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk, PDB code: 4p4w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4p4w

Go back to Chlorine Binding Sites List in 4p4w
Chlorine binding site 1 out of 6 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl101

b:30.8
occ:1.00
 HZ1 C:LYS16 2.1 18.8 1.0
HE2 C:LYS16 2.7 30.3 1.0
NZ C:LYS16 2.8 15.6 1.0
HZ2 C:LYS16 3.1 18.8 1.0
CE C:LYS16 3.1 25.3 1.0
HE2 A:TYR2 3.3 15.8 1.0
HE3 C:LYS16 3.3 30.3 1.0
HD13 C:LEU4 3.5 18.8 1.0
HZ3 C:LYS16 3.6 18.8 1.0
HD11 C:LEU4 3.6 18.8 1.0
CE2 A:TYR2 3.6 13.1 1.0
CD1 C:LEU4 3.9 15.7 1.0
HD12 C:LEU4 4.1 18.8 1.0
CD2 A:TYR2 4.2 11.9 1.0
CZ A:TYR2 4.2 13.2 1.0
HD2 A:TYR2 4.2 14.3 1.0
OH A:TYR2 4.4 17.5 1.0
CD C:LYS16 4.6 37.7 1.0
HD3 C:LYS16 4.7 45.2 1.0

Chlorine binding site 2 out of 6 in 4p4w

Go back to Chlorine Binding Sites List in 4p4w
Chlorine binding site 2 out of 6 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl103

b:30.1
occ:1.00
 H F:ORN1 2.0 24.9 1.0
N F:ORN1 2.8 20.8 1.0
HA F:ORN1 2.8 19.4 1.0
O D:HOH207 3.0 32.2 1.0
HB2 D:TYR6 3.2 15.4 1.0
CA F:ORN1 3.2 16.1 1.0
HD2 D:TYR6 3.3 23.4 1.0
O F:HOH202 3.4 29.2 1.0
C F:ORN1 3.5 13.4 1.0
H2 F:ORN1 3.6 24.9 1.0
O F:HOH212 3.6 46.4 1.0
O F:ORN1 3.8 15.4 1.0
CD2 D:TYR6 3.9 19.5 1.0
CB D:TYR6 4.0 12.8 1.0
N F:TYR2 4.1 14.9 1.0
O D:THR7 4.1 18.8 1.0
H F:TYR2 4.2 17.8 1.0
CG D:TYR6 4.2 13.0 1.0
HB3 D:TYR6 4.3 15.4 1.0
HG2 D:GLU8 4.3 24.6 1.0
H D:THR7 4.5 16.9 1.0
HG3 D:GLU8 4.5 24.6 1.0
CE2 F:TYR2 4.7 15.2 1.0
CB F:ORN1 4.7 20.7 1.0
CE2 D:TYR6 4.7 20.1 1.0
CD2 F:TYR2 4.8 12.4 1.0
HA F:TYR2 4.8 14.1 1.0
CZ F:TYR2 4.8 14.1 1.0
HG3 F:ORN1 4.8 37.7 1.0
HD2 F:ORN1 4.8 26.3 1.0
HE2 D:TYR6 4.9 24.2 1.0
HE2 F:TYR2 4.9 18.2 1.0
CG D:GLU8 4.9 20.5 1.0
C D:THR7 4.9 20.1 1.0
CG F:TYR2 5.0 14.6 1.0
CE1 F:TYR2 5.0 13.9 1.0
N D:THR7 5.0 14.1 1.0
CA F:TYR2 5.0 11.7 1.0

Chlorine binding site 3 out of 6 in 4p4w

Go back to Chlorine Binding Sites List in 4p4w
Chlorine binding site 3 out of 6 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl101

b:30.1
occ:1.00
 H G:THR7 2.7 33.6 1.0
O G:HOH215 2.7 56.1 1.0
HG2 D:ORN9 2.8 26.3 1.0
O D:HOH213 2.9 48.5 1.0
HA G:TYR6 3.0 25.2 1.0
HB2 G:TYR6 3.2 27.0 1.0
HD2 D:ORN9 3.5 26.0 1.0
N G:THR7 3.5 28.0 1.0
CG D:ORN9 3.7 21.9 1.0
CA G:TYR6 3.7 21.0 1.0
CB G:TYR6 3.8 22.5 1.0
HG3 D:ORN9 3.8 26.3 1.0
HB3 G:TYR6 3.9 27.0 1.0
OG1 G:THR7 3.9 42.2 1.0
CD D:ORN9 4.0 21.7 1.0
HG21 G:THR7 4.1 53.8 1.0
C G:TYR6 4.1 27.4 1.0
HG1 G:THR7 4.2 50.7 1.0
HD3 D:ORN9 4.3 26.0 1.0
H2 D:ORN9 4.5 30.9 1.0
CA G:THR7 4.5 26.6 1.0
O G:THR7 4.6 32.0 1.0
N D:ORN9 4.6 25.8 1.0
CB G:THR7 4.6 31.8 1.0
O G:PHI5 4.7 22.4 1.0
CG2 G:THR7 4.8 44.8 1.0
O G:HOH210 4.9 43.2 1.0
N G:TYR6 4.9 18.9 1.0
CB D:ORN9 5.0 19.3 1.0

Chlorine binding site 4 out of 6 in 4p4w

Go back to Chlorine Binding Sites List in 4p4w
Chlorine binding site 4 out of 6 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl102

b:30.1
occ:1.00
 HH G:TYR2 2.9 68.5 1.0
HZ1 G:LYS16 3.3 73.5 1.0
OH G:TYR2 3.6 57.1 1.0
HE1 G:TYR2 3.8 67.5 1.0
NZ G:LYS16 4.2 61.3 1.0
HD3 G:LYS16 4.3 69.2 1.0
CE1 G:TYR2 4.3 56.3 1.0
CZ G:TYR2 4.4 54.9 1.0
HZ2 G:LYS16 4.4 73.5 1.0
HE2 G:LYS16 4.5 79.4 1.0
HZ3 G:LYS16 4.7 73.5 1.0
CE G:LYS16 4.8 66.1 1.0

Chlorine binding site 5 out of 6 in 4p4w

Go back to Chlorine Binding Sites List in 4p4w
Chlorine binding site 5 out of 6 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl102

b:30.3
occ:1.00
 HG3 J:ORN1 2.4 37.8 1.0
N J:ORN1 3.1 29.2 1.0
CG J:ORN1 3.4 31.5 1.0
H2 J:ORN1 3.5 35.0 1.0
HE2 I:LYS10 3.5 50.8 1.0
H J:ORN1 3.6 35.0 1.0
HD2 J:ORN1 3.6 33.7 1.0
HD3 J:ORN1 3.7 33.7 1.0
HA J:ORN1 3.7 32.9 1.0
HZ3 I:LYS10 3.8 59.1 1.0
CD J:ORN1 3.8 28.1 1.0
HZ1 I:LYS10 3.8 59.1 1.0
CA J:ORN1 3.9 27.4 1.0
NZ I:LYS10 4.1 49.2 1.0
CB J:ORN1 4.2 30.4 1.0
HG2 J:ORN1 4.2 37.8 1.0
CE I:LYS10 4.3 42.3 1.0
HB2 J:ORN1 4.6 36.5 1.0
O B:HOH113 4.8 29.1 1.0
HE3 I:LYS10 4.9 50.8 1.0
O J:HOH212 4.9 42.4 1.0
HD2 I:LYS10 4.9 62.9 1.0
HZ2 I:LYS10 5.0 59.1 1.0

Chlorine binding site 6 out of 6 in 4p4w

Go back to Chlorine Binding Sites List in 4p4w
Chlorine binding site 6 out of 6 in the Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Dodecamer Formed By A Macrocyclic Peptide Derived From Beta-2- Microglobulin (63-69) - (Orn)Yll(Phi)Yte(Orn)Kva(Mva)Avk within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl101

b:30.1
occ:1.00
 O B:HOH106 2.5 39.1 1.0
O K:HOH205 2.6 33.4 1.0
HB3 K:TYR2 3.2 17.3 1.0
HD1 K:TYR2 3.7 26.4 1.0
O K:ORN1 3.8 21.1 1.0
H K:ORN1 4.0 36.5 1.0
HB2 A:ALA14 4.1 14.4 1.0
CB K:TYR2 4.1 14.4 1.0
HB1 A:ALA14 4.1 14.4 1.0
C K:ORN1 4.1 19.8 1.0
HE2 A:LYS16 4.3 44.4 1.0
HH A:TYR6 4.3 22.2 1.0
OH A:TYR6 4.3 18.5 1.0
HA K:ORN1 4.3 27.8 1.0
CD1 K:TYR2 4.4 22.0 1.0
CZ A:TYR6 4.4 14.9 1.0
HA A:ALA14 4.5 17.6 1.0
CB A:ALA14 4.5 12.0 1.0
O A:HOH202 4.6 33.9 1.0
N K:TYR2 4.6 16.9 1.0
HB2 K:TYR2 4.6 17.3 1.0
HZ1 A:LYS16 4.6 44.9 1.0
HE1 A:TYR6 4.6 16.6 1.0
CE1 A:TYR6 4.7 13.8 1.0
CA K:ORN1 4.7 23.2 1.0
HH B:TYR2 4.7 23.7 1.0
CG K:TYR2 4.7 16.4 1.0
N K:ORN1 4.7 30.4 1.0
CA K:TYR2 4.9 15.1 1.0
HZ3 A:LYS16 4.9 44.9 1.0
HA K:TYR2 5.0 18.2 1.0
CE2 A:TYR6 5.0 18.9 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: Thu Jul 25 23:50:39 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy