Atomistry » Chlorine » PDB 6sr3-6t4w » 6std
Atomistry »
  Chlorine »
    PDB 6sr3-6t4w »
      6std »

Chlorine in PDB 6std: Scytalone Dehydratase Plus Inhibitor 3

Enzymatic activity of Scytalone Dehydratase Plus Inhibitor 3

All present enzymatic activity of Scytalone Dehydratase Plus Inhibitor 3:
4.2.1.94;

Protein crystallography data

The structure of Scytalone Dehydratase Plus Inhibitor 3, PDB code: 6std was solved by Z.Wawrzak, T.Sandalova, J.J.Steffens, G.S.Basarab, T.Lundqvist, Y.Lindqvist, D.B.Jordan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.80
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.680, 91.410, 161.020, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 22.4

Other elements in 6std:

The structure of Scytalone Dehydratase Plus Inhibitor 3 also contains other interesting chemical elements:

Bromine (Br) 3 atoms
Calcium (Ca) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Scytalone Dehydratase Plus Inhibitor 3 (pdb code 6std). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Scytalone Dehydratase Plus Inhibitor 3, PDB code: 6std:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6std

Go back to Chlorine Binding Sites List in 6std
Chlorine binding site 1 out of 6 in the Scytalone Dehydratase Plus Inhibitor 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Scytalone Dehydratase Plus Inhibitor 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:22.6
occ:1.00
 CL15 A:MS2601 0.0 22.6 1.0
C9A A:MS2601 1.8 23.7 1.0
C17 A:MS2601 2.8 22.8 1.0
C8 A:MS2601 2.9 22.4 1.0
CL16 A:MS2601 3.0 21.1 1.0
C7 A:MS2601 3.2 22.1 1.0
O1 A:MS2601 3.2 22.5 1.0
OD1 A:ASN131 3.6 20.9 1.0
CH2 A:TRP26 3.7 19.3 1.0
CD2 A:LEU106 3.7 27.2 1.0
CZ2 A:TRP26 3.8 16.2 1.0
CD1 A:LEU147 3.9 19.1 1.0
N1 A:MS2601 4.1 17.6 1.0
CD2 A:HIS85 4.1 14.7 1.0
C A:MS2601 4.1 21.3 1.0
H99 A:MS2601 4.4 0.0 0.0
O A:HOH621 4.4 20.1 1.0
S9B A:MS2601 4.5 24.9 1.0
CG A:ASN131 4.6 16.4 1.0
NE2 A:HIS85 4.7 16.9 1.0
ND2 A:ASN131 4.7 14.5 1.0
CE2 A:TYR30 4.9 13.5 1.0
C12 A:MS2601 4.9 21.9 1.0
C5 A:MS2601 5.0 17.2 1.0
CZ3 A:TRP26 5.0 15.9 1.0

Chlorine binding site 2 out of 6 in 6std

Go back to Chlorine Binding Sites List in 6std
Chlorine binding site 2 out of 6 in the Scytalone Dehydratase Plus Inhibitor 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Scytalone Dehydratase Plus Inhibitor 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:21.1
occ:1.00
 CL16 A:MS2601 0.0 21.1 1.0
C9A A:MS2601 1.8 23.7 1.0
C8 A:MS2601 2.9 22.4 1.0
C17 A:MS2601 2.9 22.8 1.0
CL15 A:MS2601 3.0 22.6 1.0
C A:MS2601 3.2 21.3 1.0
S9B A:MS2601 3.3 24.9 1.0
ND2 A:ASN131 3.6 14.5 1.0
CB A:PRO149 3.8 20.3 1.0
OG A:SER129 3.8 23.4 1.0
CB A:SER129 3.9 18.6 1.0
C12 A:MS2601 4.1 21.9 1.0
C7 A:MS2601 4.1 22.1 1.0
OD1 A:ASN131 4.1 20.9 1.0
CG1 A:ILE151 4.2 22.7 1.0
CD2 A:LEU106 4.2 27.2 1.0
CG A:ASN131 4.3 16.4 1.0
CD1 A:ILE151 4.3 29.7 1.0
O1 A:MS2601 4.4 22.5 1.0
O9B A:MS2601 4.6 25.4 1.0
CG A:PRO149 4.7 22.7 1.0
CG2 A:VAL108 4.9 17.6 1.0

Chlorine binding site 3 out of 6 in 6std

Go back to Chlorine Binding Sites List in 6std
Chlorine binding site 3 out of 6 in the Scytalone Dehydratase Plus Inhibitor 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Scytalone Dehydratase Plus Inhibitor 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl600

b:28.7
occ:1.00
 CL15 B:MS2600 0.0 28.7 1.0
C9A B:MS2600 1.8 25.8 1.0
C17 B:MS2600 2.8 26.0 1.0
C8 B:MS2600 2.9 24.8 1.0
CL16 B:MS2600 3.0 25.0 1.0
O1 B:MS2600 3.1 26.2 1.0
C7 B:MS2600 3.1 24.4 1.0
CH2 B:TRP26 3.7 20.7 1.0
CD2 B:LEU106 3.7 26.0 1.0
OD1 B:ASN131 3.8 25.6 1.0
CZ2 B:TRP26 3.8 18.2 1.0
CD1 B:LEU147 4.0 23.6 1.0
CD2 B:HIS85 4.0 14.3 1.0
N1 B:MS2600 4.1 19.5 1.0
C B:MS2600 4.2 24.6 1.0
O B:HOH603 4.3 24.0 1.0
S9B B:MS2600 4.4 27.3 1.0
H99 B:MS2600 4.5 0.0 0.0
NE2 B:HIS85 4.6 17.2 1.0
CG B:ASN131 4.7 22.1 1.0
ND2 B:ASN131 4.8 19.1 1.0
CE2 B:TYR30 4.8 19.3 1.0
C12 B:MS2600 4.8 24.9 1.0
CZ3 B:TRP26 4.9 20.2 1.0
C5 B:MS2600 5.0 19.7 1.0

Chlorine binding site 4 out of 6 in 6std

Go back to Chlorine Binding Sites List in 6std
Chlorine binding site 4 out of 6 in the Scytalone Dehydratase Plus Inhibitor 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Scytalone Dehydratase Plus Inhibitor 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl600

b:25.0
occ:1.00
 CL16 B:MS2600 0.0 25.0 1.0
C9A B:MS2600 1.8 25.8 1.0
C8 B:MS2600 2.9 24.8 1.0
C17 B:MS2600 2.9 26.0 1.0
CL15 B:MS2600 3.0 28.7 1.0
S9B B:MS2600 3.2 27.3 1.0
C B:MS2600 3.2 24.6 1.0
ND2 B:ASN131 3.6 19.1 1.0
CB B:PRO149 3.7 22.0 1.0
OG B:SER129 3.8 26.8 1.0
CB B:SER129 3.9 21.4 1.0
C12 B:MS2600 4.0 24.9 1.0
CD1 B:ILE151 4.0 36.0 1.0
CG1 B:ILE151 4.1 24.3 1.0
C7 B:MS2600 4.1 24.4 1.0
OD1 B:ASN131 4.1 25.6 1.0
CD2 B:LEU106 4.3 26.0 1.0
CG B:ASN131 4.3 22.1 1.0
O1 B:MS2600 4.4 26.2 1.0
O9B B:MS2600 4.6 23.7 1.0
CG B:PRO149 4.6 26.0 1.0

Chlorine binding site 5 out of 6 in 6std

Go back to Chlorine Binding Sites List in 6std
Chlorine binding site 5 out of 6 in the Scytalone Dehydratase Plus Inhibitor 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Scytalone Dehydratase Plus Inhibitor 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:24.9
occ:1.00
 CL15 C:MS2602 0.0 24.9 1.0
C9A C:MS2602 1.8 22.7 1.0
C17 C:MS2602 2.8 20.2 1.0
C8 C:MS2602 2.9 21.6 1.0
CL16 C:MS2602 2.9 21.9 1.0
C7 C:MS2602 3.1 19.8 1.0
O1 C:MS2602 3.2 20.4 1.0
OD1 C:ASN131 3.6 20.7 1.0
CH2 C:TRP26 3.7 15.3 1.0
CZ2 C:TRP26 3.8 14.1 1.0
CD2 C:LEU106 3.8 27.8 1.0
CD1 C:LEU147 3.9 18.8 1.0
N1 C:MS2602 4.1 16.6 1.0
C C:MS2602 4.1 19.8 1.0
CD2 C:HIS85 4.1 17.6 1.0
O C:HOH607 4.4 21.9 1.0
H99 C:MS2602 4.5 0.0 0.0
S9B C:MS2602 4.5 19.4 1.0
CG C:ASN131 4.5 19.3 1.0
NE2 C:HIS85 4.7 19.5 1.0
ND2 C:ASN131 4.7 17.3 1.0
CE2 C:TYR30 4.9 18.2 1.0
C12 C:MS2602 4.9 22.8 1.0
C5 C:MS2602 5.0 17.1 1.0

Chlorine binding site 6 out of 6 in 6std

Go back to Chlorine Binding Sites List in 6std
Chlorine binding site 6 out of 6 in the Scytalone Dehydratase Plus Inhibitor 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Scytalone Dehydratase Plus Inhibitor 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:21.9
occ:1.00
 CL16 C:MS2602 0.0 21.9 1.0
C9A C:MS2602 1.7 22.7 1.0
C8 C:MS2602 2.8 21.6 1.0
C17 C:MS2602 2.9 20.2 1.0
CL15 C:MS2602 2.9 24.9 1.0
C C:MS2602 3.2 19.8 1.0
S9B C:MS2602 3.3 19.4 1.0
ND2 C:ASN131 3.5 17.3 1.0
CB C:PRO149 3.8 21.0 1.0
OG C:SER129 4.0 22.8 1.0
C12 C:MS2602 4.0 22.8 1.0
OD1 C:ASN131 4.0 20.7 1.0
C7 C:MS2602 4.1 19.8 1.0
CB C:SER129 4.1 18.2 1.0
CG C:ASN131 4.2 19.3 1.0
CG1 C:ILE151 4.2 21.4 1.0
CD2 C:LEU106 4.3 27.8 1.0
O1 C:MS2602 4.3 20.4 1.0
CD1 C:ILE151 4.3 26.3 1.0
O9B C:MS2602 4.6 22.6 1.0
CG C:PRO149 4.7 20.5 1.0

Reference:

Z.Wawrzak, T.Sandalova, J.J.Steffens, G.S.Basarab, T.Lundqvist, Y.Lindqvist, D.B.Jordan. High-Resolution Structures of Scytalone Dehydratase-Inhibitor Complexes Crystallized at Physiological pH. Proteins V. 35 425 1999.
ISSN: ISSN 0887-3585
PubMed: 10382670
DOI: 10.1002/(SICI)1097-0134(19990601)35:4<425::AID-PROT6>3.3.CO;2-T
Page generated: Mon Jul 29 15:10:28 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy