Atomistry » Chlorine » PDB 3ste-3t4p » 3szs
Atomistry »
  Chlorine »
    PDB 3ste-3t4p »
      3szs »

Chlorine in PDB 3szs: Crystal Structure Analysis of Hellethionin D

Protein crystallography data

The structure of Crystal Structure Analysis of Hellethionin D, PDB code: 3szs was solved by A.Thorn, I.Uson, C.Eduardo, G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 91.80 / 1.95
Space group I 4 2 2 1
Cell size a, b, c (Å), α, β, γ (°) 129.829, 129.829, 103.994, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 22.1

Other elements in 3szs:

The structure of Crystal Structure Analysis of Hellethionin D also contains other interesting chemical elements:

Sodium (Na) 19 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 33;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure Analysis of Hellethionin D (pdb code 3szs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 33 binding sites of Chlorine where determined in the Crystal Structure Analysis of Hellethionin D, PDB code: 3szs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 1 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl50

b:24.3
occ:1.00
OG1 A:THR25 3.0 16.6 1.0
OG A:SER22 3.1 20.2 1.0
N A:SER22 3.3 19.6 1.0
CB A:THR25 3.5 18.9 1.0
CB A:SER22 3.6 21.8 1.0
CG2 G:THR36 3.9 23.1 1.0
CB E:ASN14 3.9 21.3 1.0
CG2 A:THR25 4.0 17.6 1.0
CA A:SER22 4.1 21.1 1.0
O E:ASN14 4.1 21.4 1.0
CD1 E:PHE18 4.2 23.2 1.0
CA A:GLY21 4.2 18.1 1.0
C A:GLY21 4.3 19.5 1.0
C E:ASN14 4.4 21.1 1.0
CB E:PHE18 4.4 22.3 1.0
CG E:PHE18 4.5 22.7 1.0
O A:HOH104 4.5 29.2 1.0
CG E:ASN14 4.6 21.7 1.0
O A:GLY20 4.6 19.2 1.0
CA E:ASN14 4.6 21.2 1.0
CE1 E:PHE18 4.9 23.7 1.0
OD1 E:ASN14 5.0 23.6 1.0
CA A:THR25 5.0 18.3 1.0
N E:ALA15 5.0 20.8 1.0

Chlorine binding site 2 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 2 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl51

b:23.6
occ:0.50
N A:GLN23 3.2 23.5 1.0
O A:HOH105 3.3 24.6 1.0
O A:HOH123 3.6 33.2 1.0
CG A:GLN23 3.7 32.3 1.0
CB A:GLN23 3.8 28.4 1.0
CB A:SER22 3.8 21.8 1.0
CA A:SER22 3.8 21.1 1.0
C A:SER22 4.0 21.2 1.0
CA A:GLN23 4.1 24.5 1.0
NH1 A:ARG17 4.1 28.8 1.0
CD A:PRO24 4.2 22.3 1.0
CD A:GLN23 4.3 38.0 1.0
OE1 A:GLN23 4.4 42.7 1.0
O A:HOH115 4.8 19.9 1.0
NA A:NA53 4.8 34.8 1.0
O A:HOH110 4.8 21.9 1.0
OG A:SER22 4.9 20.2 1.0
CZ A:ARG17 4.9 31.1 1.0

Chlorine binding site 3 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 3 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl55

b:22.3
occ:0.50
O A:HOH103 1.7 2.0 0.5
O A:HOH126 2.6 24.8 1.0
OG1 F:THR25 2.9 30.3 1.0
ND1 A:HIS34 3.1 32.2 1.0
CL F:CL57 3.4 27.5 0.5
O A:HOH102 3.4 23.6 0.5
N F:THR25 3.8 26.9 1.0
CA F:THR25 3.8 25.9 1.0
CA A:PRO24 3.9 20.3 1.0
CB F:THR25 3.9 27.7 1.0
CE1 A:HIS34 4.0 31.8 1.0
CG A:HIS34 4.1 36.8 1.0
OG F:SER22 4.3 31.4 1.0
CB A:HIS34 4.3 39.9 1.0
C F:PRO24 4.3 26.4 1.0
CB F:PRO24 4.3 29.4 1.0
O A:GLN23 4.4 22.4 1.0
N A:HIS34 4.4 41.9 1.0
N A:PRO24 4.4 21.2 1.0
CB A:PRO24 4.5 19.6 1.0
O A:HOH101 4.5 12.8 1.0
C A:GLN23 4.6 22.7 1.0
CG A:PRO24 4.8 21.5 1.0
CD1 F:ILE28 4.8 23.9 1.0
O A:PRO24 4.8 19.3 1.0
O F:PRO24 4.8 25.6 1.0
C A:PRO24 4.9 19.0 1.0
CA A:ILE33 4.9 42.2 1.0
C A:ILE33 4.9 43.3 1.0
CA A:HIS34 5.0 44.2 1.0

Chlorine binding site 4 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 4 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl50

b:42.8
occ:1.00
N B:CYS40 3.1 27.9 1.0
O B:HOH137 3.1 24.6 1.0
CA B:THR39 3.7 30.1 1.0
CB B:THR39 3.7 31.0 1.0
CB B:CYS40 3.8 26.9 1.0
C B:THR39 3.9 28.9 1.0
CA B:CYS40 4.0 27.7 1.0
SG B:CYS40 4.1 27.4 1.0
CE B:LYS1 4.2 26.6 1.0
CG2 B:THR39 4.4 32.9 1.0
O B:CYS40 4.6 28.3 1.0
C B:CYS40 4.8 28.4 1.0
NZ B:LYS1 4.9 28.4 1.0
OG1 B:THR39 4.9 33.9 1.0

Chlorine binding site 5 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 5 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl50

b:85.8
occ:1.00
O C:GLY20 3.3 29.3 1.0
O B:HOH124 3.5 21.9 1.0
N C:SER22 3.7 21.0 1.0
CA C:SER22 3.9 20.0 1.0
CB C:SER22 4.0 21.0 1.0
CD2 A:LEU8 4.0 87.1 1.0
C C:GLY21 4.2 22.4 1.0
C C:GLY20 4.4 28.4 1.0
O C:GLY21 4.6 22.1 1.0
O C:HOH103 4.6 10.3 1.0
CA C:GLY21 4.9 23.1 1.0
CD1 A:LEU8 5.0 97.1 1.0
NH1 C:ARG17 5.0 25.2 1.0

Chlorine binding site 6 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 6 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl51

b:40.3
occ:1.00
OG1 C:THR38 3.1 29.2 1.0
N C:THR38 3.2 25.6 1.0
O E:HOH139 3.2 23.1 1.0
O E:HOH148 3.3 23.6 1.0
CB E:CYS12 3.4 20.7 1.0
SG E:CYS12 3.8 20.7 1.0
CB C:THR38 3.9 29.1 1.0
CA C:THR37 4.0 23.8 1.0
CB C:THR37 4.0 23.7 1.0
CG2 C:THR38 4.0 30.3 1.0
O E:LEU8 4.1 20.8 1.0
C C:THR37 4.1 24.4 1.0
CA C:THR38 4.1 27.3 1.0
CG2 C:THR37 4.4 23.3 1.0
C E:LEU8 4.5 21.2 1.0
CA E:CYS12 4.7 20.2 1.0
N C:THR39 4.7 27.5 1.0
CA E:ALA9 4.8 21.1 1.0
N E:ALA9 4.8 21.4 1.0
C C:THR38 4.9 27.7 1.0

Chlorine binding site 7 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 7 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl50

b:25.6
occ:0.50
N D:CYS40 3.2 29.1 1.0
CA D:THR39 3.7 33.8 1.0
CB D:THR39 3.8 34.6 1.0
CB D:CYS40 3.9 25.7 1.0
C D:THR39 4.0 31.4 1.0
CE D:LYS1 4.1 34.0 1.0
CA D:CYS40 4.2 27.5 1.0
SG D:CYS40 4.2 27.9 1.0
O D:HOH141 4.2 31.7 1.0
CG2 D:THR39 4.3 36.8 1.0
O D:CYS40 4.7 27.9 1.0
O D:THR38 4.8 37.8 1.0
NZ D:LYS1 4.9 34.2 1.0
C D:CYS40 4.9 27.1 1.0
N D:THR39 5.0 36.7 1.0

Chlorine binding site 8 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 8 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl51

b:29.7
occ:0.50
O D:HOH151 2.8 16.1 1.0
N D:THR36 3.2 36.6 1.0
OG1 D:THR36 3.3 45.2 1.0
CB D:VAL35 3.7 30.6 1.0
CA D:VAL35 3.8 31.6 1.0
C D:VAL35 4.0 34.0 1.0
CB D:THR36 4.1 42.7 1.0
CA D:THR36 4.1 40.1 1.0
CG2 D:THR36 4.2 43.2 1.0
N D:THR37 4.2 38.5 1.0
CG1 D:VAL35 4.3 29.1 1.0
CG2 D:THR37 4.5 38.9 1.0
C D:THR36 4.6 40.4 1.0
OG1 D:THR37 4.7 35.5 1.0
O D:HOH158 4.9 16.0 1.0

Chlorine binding site 9 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 9 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl53

b:32.9
occ:0.50
NH2 D:ARG5 3.1 32.4 1.0
CB D:SER43 3.9 26.4 1.0
CE1 D:HIS44 4.0 26.1 1.0
O D:HOH153 4.1 18.3 1.0
CZ D:ARG5 4.2 32.9 1.0
NH1 D:ARG5 4.3 34.5 1.0
OG D:SER43 4.3 26.4 1.0
ND1 D:HIS44 4.7 26.3 1.0
O D:HOH124 4.9 22.3 1.0

Chlorine binding site 10 out of 33 in 3szs

Go back to Chlorine Binding Sites List in 3szs
Chlorine binding site 10 out of 33 in the Crystal Structure Analysis of Hellethionin D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure Analysis of Hellethionin D within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl50

b:22.1
occ:1.00
OG1 E:THR25 3.2 24.0 1.0
N E:SER22 3.2 23.9 1.0
ND2 B:ASN14 3.4 18.1 1.0
CD B:ARG10 3.6 21.4 1.0
CG B:ARG10 3.6 18.7 1.0
CB E:THR25 3.7 23.0 1.0
O E:HOH162 3.7 22.2 1.0
O B:HOH102 3.8 28.3 1.0
CA E:GLY21 3.8 23.3 1.0
OG E:SER22 3.9 24.4 1.0
CB E:SER22 4.0 24.9 1.0
CG2 E:THR25 4.0 22.7 1.0
C E:GLY21 4.0 23.6 1.0
CA E:SER22 4.2 24.2 1.0
O E:GLY20 4.2 25.0 1.0
NE B:ARG10 4.3 20.9 1.0
O E:HOH105 4.3 2.0 1.0
CG B:ASN14 4.5 19.7 1.0
OD1 B:ASN14 4.6 22.8 1.0
N E:GLY21 4.8 23.5 1.0
O E:HOH120 4.9 11.2 1.0
C E:GLY20 4.9 24.4 1.0
CZ B:ARG10 5.0 22.3 1.0

Reference:

A.Thorn, I.Uson, C.Eduardo, G.M.Sheldrick. Crystal Structure Analysis of Hellethionin D To Be Published.
Page generated: Sat Dec 12 10:11:11 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy