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Chlorine in PDB 7std: Scytalone Dehydratase Plus Inhibitor 4

Enzymatic activity of Scytalone Dehydratase Plus Inhibitor 4

All present enzymatic activity of Scytalone Dehydratase Plus Inhibitor 4:
4.2.1.94;

Protein crystallography data

The structure of Scytalone Dehydratase Plus Inhibitor 4, PDB code: 7std 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 (°) 80.570, 91.060, 161.680, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 22.9

Other elements in 7std:

The structure of Scytalone Dehydratase Plus Inhibitor 4 also contains other interesting chemical elements:

Calcium (Ca) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Scytalone Dehydratase Plus Inhibitor 4 (pdb code 7std). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Scytalone Dehydratase Plus Inhibitor 4, PDB code: 7std:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 7std

Go back to Chlorine Binding Sites List in 7std
Chlorine binding site 1 out of 9 in the Scytalone Dehydratase Plus Inhibitor 4


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 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:2.0
occ:1.00
 CL0 A:CRP600 0.0 2.0 1.0
C4' A:CRP600 1.7 19.7 1.0
C3' A:CRP600 2.7 18.6 1.0
C5' A:CRP600 2.7 21.0 1.0
O A:GLY165 3.5 19.6 1.0
C A:GLY165 3.5 23.2 1.0
CE2 A:PHE53 3.9 28.1 1.0
CD2 A:LEU54 3.9 22.8 1.0
N A:ARG166 3.9 25.6 1.0
C2' A:CRP600 4.0 20.5 1.0
C6' A:CRP600 4.0 21.1 1.0
CA A:GLY165 4.0 24.0 1.0
CG2 A:VAL75 4.1 21.7 1.0
CD2 A:PHE169 4.1 23.0 1.0
CA A:ARG166 4.2 28.8 1.0
CB A:PHE169 4.4 23.4 1.0
C1' A:CRP600 4.5 19.9 1.0
CZ A:PHE53 4.6 27.1 1.0
CG A:PHE169 4.7 25.3 1.0
CG A:ARG166 4.7 48.3 1.0
CD2 A:PHE53 4.8 28.2 1.0
CG1 A:VAL75 4.9 18.4 1.0
CB A:PHE162 4.9 19.2 1.0
CE2 A:PHE169 5.0 24.0 1.0

Chlorine binding site 2 out of 9 in 7std

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Chlorine binding site 2 out of 9 in the Scytalone Dehydratase Plus Inhibitor 4


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 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:2.0
occ:1.00
 CL1 A:CRP600 0.0 2.0 1.0
C2 A:CRP600 1.8 16.2 1.0
C3 A:CRP600 2.8 17.9 1.0
C1 A:CRP600 2.9 19.4 1.0
CL2 A:CRP600 3.0 2.0 1.0
C A:CRP600 3.1 23.8 1.0
O A:CRP600 3.4 22.6 1.0
CD2 A:HIS85 3.7 16.1 1.0
CZ2 A:TRP26 3.7 16.0 1.0
CH2 A:TRP26 3.7 19.4 1.0
N A:CRP600 3.8 18.2 1.0
CD2 A:LEU106 3.9 26.1 1.0
CD1 A:LEU147 4.0 19.0 1.0
C4 A:CRP600 4.1 18.8 1.0
OD1 A:ASN131 4.1 19.7 1.0
C5 A:CRP600 4.2 21.3 1.0
NE2 A:HIS85 4.3 14.6 1.0
O A:HOH628 4.5 22.0 1.0
CE2 A:TYR30 4.5 14.4 1.0
C7' A:CRP600 4.8 16.3 1.0
CG A:HIS85 4.8 15.1 1.0
CG2 A:VAL108 5.0 14.7 1.0

Chlorine binding site 3 out of 9 in 7std

Go back to Chlorine Binding Sites List in 7std
Chlorine binding site 3 out of 9 in the Scytalone Dehydratase Plus Inhibitor 4


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 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl600

b:2.0
occ:1.00
 CL2 A:CRP600 0.0 2.0 1.0
C2 A:CRP600 1.8 16.2 1.0
C3 A:CRP600 2.9 17.9 1.0
C1 A:CRP600 2.9 19.4 1.0
CL1 A:CRP600 3.0 2.0 1.0
C4 A:CRP600 3.2 18.8 1.0
C5 A:CRP600 3.2 21.3 1.0
ND2 A:ASN131 3.3 15.6 1.0
CB A:PRO149 3.7 20.6 1.0
OD1 A:ASN131 3.8 19.7 1.0
OG A:SER129 3.8 18.7 1.0
CD2 A:LEU106 3.9 26.1 1.0
CG A:ASN131 4.0 16.5 1.0
CB A:SER129 4.0 14.6 1.0
C A:CRP600 4.1 23.8 1.0
O A:CRP600 4.5 22.6 1.0
C6 A:CRP600 4.6 19.7 1.0
CG A:PRO149 4.6 19.1 1.0
CG1 A:ILE151 4.6 19.8 1.0
CG2 A:VAL108 4.8 14.7 1.0
CA A:PRO149 4.8 20.7 1.0
CD1 A:ILE151 4.8 21.4 1.0

Chlorine binding site 4 out of 9 in 7std

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Chlorine binding site 4 out of 9 in the Scytalone Dehydratase Plus Inhibitor 4


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 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:2.0
occ:1.00
 CL0 B:CRP601 0.0 2.0 1.0
C4' B:CRP601 1.8 21.0 1.0
C3' B:CRP601 2.7 21.2 1.0
C5' B:CRP601 2.7 21.4 1.0
O B:GLY165 3.5 28.9 1.0
C B:GLY165 3.6 29.4 1.0
CE2 B:PHE53 3.9 24.7 1.0
N B:ARG166 4.0 30.7 1.0
C2' B:CRP601 4.0 22.0 1.0
C6' B:CRP601 4.0 21.6 1.0
CA B:GLY165 4.0 28.6 1.0
CG2 B:VAL75 4.0 19.0 1.0
CD2 B:PHE169 4.0 26.1 1.0
CD2 B:LEU54 4.2 21.1 1.0
CA B:ARG166 4.4 34.1 1.0
CZ B:PHE53 4.5 28.8 1.0
CB B:PHE169 4.5 27.0 1.0
C1' B:CRP601 4.5 22.5 1.0
CG B:PHE169 4.7 24.0 1.0
CG B:ARG166 4.8 49.0 1.0
CG1 B:VAL75 4.9 17.2 1.0
CE2 B:PHE169 4.9 23.9 1.0
CB B:PHE162 4.9 24.5 1.0
CD2 B:PHE53 5.0 22.6 1.0

Chlorine binding site 5 out of 9 in 7std

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Chlorine binding site 5 out of 9 in the Scytalone Dehydratase Plus Inhibitor 4


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 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:2.0
occ:1.00
 CL1 B:CRP601 0.0 2.0 1.0
C2 B:CRP601 1.8 14.2 1.0
C3 B:CRP601 2.8 17.1 1.0
C1 B:CRP601 2.9 18.8 1.0
CL2 B:CRP601 3.0 2.0 1.0
C B:CRP601 3.1 20.6 1.0
O B:CRP601 3.4 22.8 1.0
CH2 B:TRP26 3.6 18.5 1.0
CZ2 B:TRP26 3.7 16.7 1.0
N B:CRP601 3.7 20.3 1.0
CD2 B:HIS85 3.7 15.3 1.0
CD1 B:LEU147 3.9 19.7 1.0
CD2 B:LEU106 4.0 26.5 1.0
C4 B:CRP601 4.1 18.1 1.0
OD1 B:ASN131 4.1 18.9 1.0
O B:HOH610 4.2 21.3 1.0
C5 B:CRP601 4.2 19.7 1.0
NE2 B:HIS85 4.4 18.5 1.0
CE2 B:TYR30 4.4 16.7 1.0
C7' B:CRP601 4.7 21.3 1.0
CG B:HIS85 4.9 18.3 1.0
CD2 B:TYR30 4.9 15.7 1.0
CZ3 B:TRP26 4.9 17.6 1.0

Chlorine binding site 6 out of 9 in 7std

Go back to Chlorine Binding Sites List in 7std
Chlorine binding site 6 out of 9 in the Scytalone Dehydratase Plus Inhibitor 4


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 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:2.0
occ:1.00
 CL2 B:CRP601 0.0 2.0 1.0
C2 B:CRP601 1.8 14.2 1.0
C1 B:CRP601 2.9 18.8 1.0
C3 B:CRP601 2.9 17.1 1.0
CL1 B:CRP601 3.0 2.0 1.0
C5 B:CRP601 3.2 19.7 1.0
C4 B:CRP601 3.2 18.1 1.0
ND2 B:ASN131 3.3 10.2 1.0
CB B:PRO149 3.6 23.0 1.0
OD1 B:ASN131 3.7 18.9 1.0
OG B:SER129 3.9 20.4 1.0
CG B:ASN131 4.0 13.6 1.0
CB B:SER129 4.1 16.9 1.0
C B:CRP601 4.1 20.6 1.0
CD2 B:LEU106 4.1 26.5 1.0
O B:CRP601 4.5 22.8 1.0
CG B:PRO149 4.5 22.8 1.0
C6 B:CRP601 4.6 19.1 1.0
CG1 B:ILE151 4.7 24.1 1.0
CD1 B:ILE151 4.8 26.9 1.0
CA B:PRO149 4.8 22.4 1.0
CG2 B:VAL108 4.8 11.3 1.0
CB B:LEU106 5.0 19.1 1.0
CD1 B:LEU147 5.0 19.7 1.0

Chlorine binding site 7 out of 9 in 7std

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Chlorine binding site 7 out of 9 in the Scytalone Dehydratase Plus Inhibitor 4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Scytalone Dehydratase Plus Inhibitor 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:2.0
occ:1.00
 CL0 C:CRP602 0.0 2.0 1.0
C4' C:CRP602 1.7 16.4 1.0
C3' C:CRP602 2.7 19.2 1.0
C5' C:CRP602 2.7 17.3 1.0
O C:GLY165 3.4 24.5 1.0
C C:GLY165 3.5 24.7 1.0
N C:ARG166 3.9 25.4 1.0
CE2 C:PHE53 4.0 25.1 1.0
C2' C:CRP602 4.0 20.9 1.0
C6' C:CRP602 4.0 17.9 1.0
CG2 C:VAL75 4.0 17.6 1.0
CA C:GLY165 4.1 22.9 1.0
CD2 C:PHE169 4.1 19.8 1.0
CD2 C:LEU54 4.2 17.3 1.0
CA C:ARG166 4.2 29.3 1.0
CB C:PHE169 4.4 22.6 1.0
CZ C:PHE53 4.5 22.3 1.0
C1' C:CRP602 4.5 19.7 1.0
CG C:ARG166 4.6 44.3 1.0
CG C:PHE169 4.6 22.9 1.0
CB C:PHE162 4.9 19.2 1.0
CG1 C:VAL75 5.0 17.7 1.0

Chlorine binding site 8 out of 9 in 7std

Go back to Chlorine Binding Sites List in 7std
Chlorine binding site 8 out of 9 in the Scytalone Dehydratase Plus Inhibitor 4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Scytalone Dehydratase Plus Inhibitor 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:2.0
occ:1.00
 CL1 C:CRP602 0.0 2.0 1.0
C2 C:CRP602 1.8 16.5 1.0
C3 C:CRP602 2.8 19.3 1.0
C1 C:CRP602 2.9 18.9 1.0
CL2 C:CRP602 3.0 2.0 1.0
C C:CRP602 3.1 20.6 1.0
O C:CRP602 3.4 19.1 1.0
CH2 C:TRP26 3.6 17.1 1.0
CZ2 C:TRP26 3.6 15.0 1.0
CD2 C:HIS85 3.7 16.2 1.0
N C:CRP602 3.7 18.9 1.0
CD2 C:LEU106 4.0 28.0 1.0
CD1 C:LEU147 4.0 17.1 1.0
C4 C:CRP602 4.0 21.4 1.0
OD1 C:ASN131 4.1 20.4 1.0
C5 C:CRP602 4.2 20.7 1.0
O C:HOH613 4.2 21.1 1.0
NE2 C:HIS85 4.3 19.6 1.0
CE2 C:TYR30 4.4 15.9 1.0
C7' C:CRP602 4.8 19.5 1.0
CG C:HIS85 4.9 16.3 1.0
CZ3 C:TRP26 4.9 13.8 1.0
CE2 C:TRP26 5.0 15.8 1.0
CG C:ASN131 5.0 16.4 1.0

Chlorine binding site 9 out of 9 in 7std

Go back to Chlorine Binding Sites List in 7std
Chlorine binding site 9 out of 9 in the Scytalone Dehydratase Plus Inhibitor 4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Scytalone Dehydratase Plus Inhibitor 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:2.0
occ:1.00
 CL2 C:CRP602 0.0 2.0 1.0
C2 C:CRP602 1.8 16.5 1.0
C1 C:CRP602 2.9 18.9 1.0
C3 C:CRP602 2.9 19.3 1.0
CL1 C:CRP602 3.0 2.0 1.0
C5 C:CRP602 3.1 20.7 1.0
C4 C:CRP602 3.2 21.4 1.0
ND2 C:ASN131 3.3 12.7 1.0
OD1 C:ASN131 3.7 20.4 1.0
CB C:PRO149 3.8 18.7 1.0
CD1 C:ILE151 3.8 30.1 1.0
CG C:ASN131 3.9 16.4 1.0
CD2 C:LEU106 4.0 28.0 1.0
OG C:SER129 4.1 15.9 1.0
C C:CRP602 4.1 20.6 1.0
CB C:SER129 4.2 19.0 1.0
O C:CRP602 4.4 19.1 1.0
C6 C:CRP602 4.6 20.7 1.0
CG C:PRO149 4.8 22.2 1.0
CD1 C:LEU147 4.9 17.1 1.0
CA C:PRO149 4.9 18.6 1.0
CG2 C:VAL108 4.9 13.6 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: Tue Jul 30 04:16:37 2024

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