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Chlorine in PDB 3hhq: Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae

Enzymatic activity of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae

All present enzymatic activity of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae:
3.6.1.23;

Protein crystallography data

The structure of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae, PDB code: 3hhq was solved by A.U.Singer, E.Evdokimova, M.Kudritska, A.Dong, A.M.Edwards, A.F.Yakunin, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.62 / 2.00
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 95.461, 95.466, 97.594, 98.79, 97.42, 107.13
R / Rfree (%) 17.5 / 23.6

Other elements in 3hhq:

The structure of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae also contains other interesting chemical elements:

Sodium (Na) 14 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae (pdb code 3hhq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae, PDB code: 3hhq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in 3hhq

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Chlorine binding site 1 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl150

b:57.5
occ:1.00
 N B:GLN101 3.5 19.4 1.0
CB B:GLN101 3.7 20.0 1.0
NE B:ARG102 3.9 34.3 1.0
NH1 B:ARG102 4.0 40.5 1.0
CA B:GLN101 4.1 20.4 1.0
CB B:SER100 4.2 21.1 1.0
O B:HOH522 4.2 37.9 1.0
CG B:GLN101 4.4 21.8 1.0
CA B:SER100 4.4 19.9 1.0
CZ B:ARG102 4.4 37.3 1.0
C B:SER100 4.5 18.6 1.0
C B:GLN101 4.8 20.5 1.0
N B:ARG102 4.8 21.3 1.0
O B:HOH496 4.9 33.9 1.0
OG B:SER100 4.9 21.2 1.0
CD B:ARG102 5.0 31.6 1.0

Chlorine binding site 2 out of 17 in 3hhq

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Chlorine binding site 2 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl148

b:48.5
occ:1.00
 N C:GLN101 3.3 21.4 1.0
CB C:GLN101 3.4 22.4 1.0
CG C:GLN101 3.6 25.5 1.0
CA C:GLN101 4.0 21.9 1.0
CB C:SER100 4.0 20.6 1.0
CD C:ARG102 4.0 29.0 0.7
NH1 C:ARG102 4.0 23.4 0.7
CA C:SER100 4.2 20.5 1.0
C C:SER100 4.2 21.0 1.0
O C:HOH1928 4.3 25.7 1.0
O C:HOH1474 4.7 42.0 1.0
C C:GLN101 4.8 22.0 1.0
CG C:ARG102 4.9 24.0 0.7
N C:ARG102 4.9 22.5 1.0
OG C:SER100 4.9 22.4 1.0
NE C:ARG102 5.0 30.1 0.7
CD C:GLN101 5.0 29.5 1.0
CZ C:ARG102 5.0 26.6 0.7

Chlorine binding site 3 out of 17 in 3hhq

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Chlorine binding site 3 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl149

b:51.4
occ:1.00
 N D:GLN101 3.4 21.8 1.0
CB D:GLN101 3.7 22.7 1.0
CG D:GLN101 3.8 23.7 1.0
NE D:ARG102 3.8 31.3 1.0
CB D:SER100 3.8 21.9 1.0
NH1 D:ARG102 4.0 34.2 1.0
CA D:GLN101 4.1 22.2 1.0
CA D:SER100 4.2 21.8 1.0
C D:SER100 4.3 22.4 1.0
CZ D:ARG102 4.4 32.8 1.0
O D:HOH385 4.5 37.5 1.0
OG D:SER100 4.5 22.3 1.0
N D:ARG102 4.6 21.3 1.0
CG D:ARG102 4.7 23.3 1.0
C D:GLN101 4.7 22.7 1.0
CD D:ARG102 4.8 28.9 1.0

Chlorine binding site 4 out of 17 in 3hhq

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Chlorine binding site 4 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl150

b:58.8
occ:1.00
 CE D:LYS74 3.5 33.4 1.0
CG D:LYS74 3.5 23.6 1.0
CB D:VAL73 3.6 20.8 1.0
O D:GLY70 3.8 20.4 1.0
CG1 D:VAL73 3.8 20.5 1.0
NZ D:LYS74 3.8 34.3 1.0
CD D:LYS74 3.8 29.9 1.0
CA D:GLY70 4.0 19.3 1.0
N D:LYS74 4.3 20.8 1.0
C D:GLY70 4.3 19.1 1.0
CB D:LYS74 4.5 21.1 1.0
CG2 D:VAL73 4.5 20.5 1.0
CA D:VAL73 4.7 20.5 1.0
C D:VAL73 4.7 21.2 1.0
CA D:LYS74 4.8 21.7 1.0

Chlorine binding site 5 out of 17 in 3hhq

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Chlorine binding site 5 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl149

b:76.0
occ:1.00
 N E:LYS7 3.3 34.3 1.0
OD2 F:ASP123 3.5 30.1 1.0
CB E:ASP6 3.9 36.5 1.0
CB E:LYS7 4.0 32.6 1.0
O F:HOH1302 4.0 37.0 1.0
CA E:LYS7 4.1 32.4 1.0
CG F:ASP123 4.2 26.8 1.0
OD1 F:ASP123 4.2 26.9 1.0
O F:ASP123 4.2 24.5 1.0
C E:ASP6 4.3 36.1 1.0
CA E:ASP6 4.3 36.6 1.0
CG1 F:VAL121 4.4 18.4 1.0
O E:LYS7 4.5 30.6 1.0
C E:LYS7 4.8 31.1 1.0
C F:ASP123 4.8 24.3 1.0
CG E:LYS7 4.9 32.4 1.0

Chlorine binding site 6 out of 17 in 3hhq

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Chlorine binding site 6 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl151

b:41.8
occ:1.00
 O F:HOH2175 2.6 30.3 1.0
N F:SER50 2.9 18.9 1.0
O F:GLN37 3.0 24.0 1.0
CB F:ILE39 3.6 21.3 1.0
CG2 F:ILE39 3.6 22.1 1.0
C F:GLN37 3.7 24.1 1.0
CB F:SER50 3.7 18.7 1.0
CA F:VAL49 3.7 19.2 1.0
CB F:GLN37 3.7 25.4 1.0
C F:VAL49 3.7 19.9 1.0
CA F:SER50 3.8 19.2 1.0
OG F:SER50 3.9 19.7 1.0
O F:ASP38 4.0 21.8 1.0
CG1 F:VAL49 4.0 17.7 1.0
O F:MET48 4.1 23.6 1.0
CA F:GLN37 4.1 25.0 1.0
O F:SER50 4.1 21.1 1.0
N F:GLN37 4.2 23.1 1.0
CG1 F:ILE39 4.3 24.6 1.0
C F:ASP38 4.4 21.9 1.0
C F:SER50 4.4 19.9 1.0
CB F:VAL49 4.5 20.9 1.0
CD1 F:ILE39 4.5 28.9 1.0
N F:ASP38 4.6 22.8 1.0
N F:ILE39 4.7 21.9 1.0
CG F:GLN37 4.7 33.6 1.0
N F:VAL49 4.7 20.8 1.0
CA F:ILE39 4.8 21.8 1.0
C F:MET48 4.8 22.9 1.0
CD F:GLN37 4.9 41.5 1.0
O F:VAL49 4.9 18.1 1.0
OE1 F:GLN37 4.9 42.7 1.0

Chlorine binding site 7 out of 17 in 3hhq

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Chlorine binding site 7 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl149

b:56.8
occ:1.00
 N I:GLN101 3.2 22.9 1.0
NH1 I:ARG102 3.8 34.4 1.0
CB I:GLN101 3.8 23.2 1.0
CB I:SER100 3.9 23.1 1.0
CA I:SER100 4.0 22.9 1.0
CA I:GLN101 4.0 23.2 1.0
C I:SER100 4.1 22.9 1.0
O I:HOH673 4.1 34.6 1.0
CG I:GLN101 4.2 25.6 1.0
CD I:ARG102 4.3 33.2 1.0
OG I:SER100 4.3 24.4 1.0
C I:GLN101 4.7 23.3 1.0
N I:ARG102 4.8 22.5 1.0
CZ I:ARG102 4.8 34.5 1.0
CG I:ARG102 4.8 27.4 1.0
O I:HOH469 4.9 27.0 1.0

Chlorine binding site 8 out of 17 in 3hhq

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Chlorine binding site 8 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl149

b:65.1
occ:1.00
 NZ L:LYS119 3.9 23.8 1.0
NZ J:LYS119 4.0 21.6 1.0
CD L:LYS119 4.2 18.1 1.0
O L:HOH1937 4.3 43.5 1.0
O L:HOH1308 4.4 27.6 1.0
CD J:LYS119 4.5 16.7 1.0
CE L:LYS119 4.6 22.5 1.0
NZ K:LYS119 4.7 20.4 1.0
CE J:LYS119 4.8 20.1 1.0
CD K:LYS119 5.0 17.2 1.0

Chlorine binding site 9 out of 17 in 3hhq

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Chlorine binding site 9 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl148

b:58.3
occ:1.00
 N L:GLY70 3.2 19.2 1.0
CA L:GLY70 3.7 19.2 1.0
NH1 L:ARG68 3.8 39.0 1.0
O L:HOH337 3.9 20.8 1.0
N L:SER69 4.1 20.2 1.0
CZ L:ARG68 4.1 38.1 1.0
NH2 L:ARG68 4.2 37.4 1.0
C L:SER69 4.3 19.4 1.0
CB L:ARG68 4.5 21.2 1.0
CA L:SER69 4.5 19.6 1.0
C L:ARG68 4.6 21.2 1.0
CB L:SER69 4.6 19.2 1.0
C L:GLY70 4.8 19.4 1.0
N L:LEU71 4.9 19.6 1.0
NE L:ARG68 4.9 33.4 1.0
CA L:ARG68 4.9 21.1 1.0
O L:HOH2178 5.0 26.8 1.0

Chlorine binding site 10 out of 17 in 3hhq

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Chlorine binding site 10 out of 17 in the Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Apo DUT1P From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl150

b:54.0
occ:1.00
 N L:GLN101 3.5 20.8 1.0
NH1 L:ARG102 3.6 40.2 1.0
CB L:GLN101 3.6 21.8 1.0
CG L:GLN101 4.1 24.6 1.0
CA L:GLN101 4.1 21.2 1.0
CD L:ARG102 4.3 32.1 1.0
CB L:SER100 4.3 21.1 1.0
O L:HOH2161 4.4 29.4 1.0
CA L:SER100 4.4 20.8 1.0
C L:SER100 4.5 20.4 1.0
OG L:SER100 4.6 21.4 1.0
CZ L:ARG102 4.6 39.4 1.0
N L:ARG102 4.8 21.4 1.0
C L:GLN101 4.8 21.5 1.0
NE L:ARG102 4.9 37.6 1.0

Reference:

A.Tchigvintsev, A.U.Singer, R.Flick, P.Petit, G.Brown, E.Evdokimova, A.Savchenko, A.F.Yakunin. Structure and Activity of the Saccharomyces Cerevisiae Dutp Pyrophosphatase DUT1, An Essential Housekeeping Enzyme. Biochem.J. V. 437 243 2011.
ISSN: ISSN 0264-6021
PubMed: 21548881
DOI: 10.1042/BJ20110304
Page generated: Sat Jul 20 20:49:03 2024

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