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Chlorine in PDB 6c4j: Ligand Bound Full Length Hugdh with A104L Substitution

Enzymatic activity of Ligand Bound Full Length Hugdh with A104L Substitution

All present enzymatic activity of Ligand Bound Full Length Hugdh with A104L Substitution:
1.1.1.22;

Protein crystallography data

The structure of Ligand Bound Full Length Hugdh with A104L Substitution, PDB code: 6c4j was solved by N.R.Beattie, B.J.Pioso, Z.A.Wood, A.M.Sidlo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.63 / 2.53
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 403.550, 112.590, 184.670, 90.00, 98.50, 90.00
R / Rfree (%) 18 / 21.4

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Ligand Bound Full Length Hugdh with A104L Substitution (pdb code 6c4j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Ligand Bound Full Length Hugdh with A104L Substitution, PDB code: 6c4j:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 6c4j

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Chlorine binding site 1 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:96.0
occ:1.00
 NH2 A:ARG135 2.8 0.3 1.0
CZ A:ARG135 3.7 0.3 1.0
NE1 A:TRP214 3.7 94.0 1.0
NH1 A:ARG135 3.7 0.1 1.0
CE2 A:TRP214 4.4 96.6 1.0
CZ2 A:TRP214 4.6 0.9 1.0
CD1 A:TRP214 4.7 87.7 1.0
NE A:ARG135 4.9 97.8 1.0

Chlorine binding site 2 out of 13 in 6c4j

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Chlorine binding site 2 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:93.1
occ:1.00
 N B:GLY99 3.3 73.1 1.0
CA B:GLY99 4.1 70.5 1.0
NH2 B:ARG102 4.1 95.1 1.0
CA B:MET98 4.2 77.1 1.0
C B:MET98 4.2 78.0 1.0
CB B:MET98 4.8 79.7 1.0
N B:LYS100 4.8 75.7 1.0
O B:GLY97 4.9 74.1 1.0
C B:GLY99 4.9 76.9 1.0

Chlorine binding site 3 out of 13 in 6c4j

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Chlorine binding site 3 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:96.5
occ:1.00
 NH2 B:ARG135 2.7 95.7 1.0
CZ B:ARG135 3.6 89.1 1.0
NH1 B:ARG135 3.6 83.1 1.0
NE1 B:TRP214 4.0 64.3 1.0
CE2 B:TRP214 4.8 65.7 1.0
NZ A:LYS465 4.8 93.0 1.0
NE B:ARG135 4.8 84.6 1.0
CZ2 B:TRP214 4.9 64.1 1.0
CD1 B:TRP214 4.9 61.1 1.0

Chlorine binding site 4 out of 13 in 6c4j

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Chlorine binding site 4 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:90.2
occ:1.00
 NH1 D:ARG102 3.3 89.7 1.0
N D:GLY99 3.6 71.8 1.0
CA D:GLY99 4.2 70.4 1.0
C D:MET98 4.6 77.2 1.0
CZ D:ARG102 4.6 95.0 1.0
CA D:MET98 4.6 75.6 1.0

Chlorine binding site 5 out of 13 in 6c4j

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Chlorine binding site 5 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl503

b:87.8
occ:1.00
 NH2 G:ARG135 3.0 82.3 1.0
NH1 G:ARG135 3.3 88.2 1.0
CZ G:ARG135 3.6 83.7 1.0
NE1 G:TRP214 3.6 73.9 1.0
CE2 G:TRP214 4.3 81.0 1.0
CZ2 G:TRP214 4.4 90.5 1.0
CD1 G:TRP214 4.5 64.4 1.0
NE G:ARG135 4.9 80.4 1.0

Chlorine binding site 6 out of 13 in 6c4j

Go back to Chlorine Binding Sites List in 6c4j
Chlorine binding site 6 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl503

b:90.6
occ:1.00
 NH2 H:ARG135 2.9 95.3 1.0
NH1 H:ARG135 3.6 89.7 1.0
CZ H:ARG135 3.7 90.6 1.0
NE1 H:TRP214 3.7 80.5 1.0
CE2 H:TRP214 4.5 77.6 1.0
CZ2 H:TRP214 4.6 82.5 1.0
CD1 H:TRP214 4.7 80.9 1.0
NZ G:LYS465 4.8 89.1 1.0
NE H:ARG135 5.0 83.7 1.0

Chlorine binding site 7 out of 13 in 6c4j

Go back to Chlorine Binding Sites List in 6c4j
Chlorine binding site 7 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl503

b:94.2
occ:1.00
 N I:GLY99 3.0 88.7 1.0
NH1 I:ARG102 3.3 95.2 1.0
CA I:GLY99 3.6 80.1 1.0
C I:MET98 4.0 95.3 1.0
CA I:MET98 4.1 95.5 1.0
CE1 I:TYR286 4.6 72.7 1.0
CZ I:ARG102 4.6 93.1 1.0
C I:GLY99 4.6 73.6 1.0
N I:LYS100 4.6 69.9 1.0
CB I:MET98 4.7 0.9 1.0
NH2 G:ARG312 4.8 0.6 1.0

Chlorine binding site 8 out of 13 in 6c4j

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Chlorine binding site 8 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl504

b:0.1
occ:1.00
 NH2 I:ARG135 2.9 0.5 1.0
CZ I:ARG135 3.8 99.7 1.0
NH1 I:ARG135 3.8 0.2 1.0
NE1 I:TRP214 4.0 82.6 1.0
NZ J:LYS465 4.6 98.6 1.0
CE2 I:TRP214 4.8 81.5 1.0
CZ2 I:TRP214 4.9 81.5 1.0
CD1 I:TRP214 4.9 72.0 1.0

Chlorine binding site 9 out of 13 in 6c4j

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Chlorine binding site 9 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl503

b:87.4
occ:1.00
 NH2 J:ARG135 3.1 86.4 1.0
NH1 J:ARG135 3.7 77.7 1.0
NE1 J:TRP214 3.7 71.6 1.0
CZ J:ARG135 3.8 81.6 1.0
CE2 J:TRP214 4.5 68.6 1.0
CZ2 J:TRP214 4.7 66.3 1.0
CD1 J:TRP214 4.7 67.1 1.0

Chlorine binding site 10 out of 13 in 6c4j

Go back to Chlorine Binding Sites List in 6c4j
Chlorine binding site 10 out of 13 in the Ligand Bound Full Length Hugdh with A104L Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Ligand Bound Full Length Hugdh with A104L Substitution within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl503

b:97.8
occ:1.00
 N K:GLY56 3.3 67.2 1.0
CA K:PRO55 4.0 68.5 1.0
OE2 K:GLU59 4.1 0.1 1.0
OH K:TYR53 4.1 83.1 1.0
CA K:GLY56 4.2 65.1 1.0
C K:PRO55 4.2 68.3 1.0
CB K:PRO55 4.8 64.1 1.0
O K:GLU54 4.9 68.8 1.0
CE1 K:TYR53 4.9 71.6 1.0
CZ K:TYR53 5.0 78.0 1.0

Reference:

N.R.Beattie, B.J.Pioso, A.M.Sidlo, N.D.Keul, Z.A.Wood. Hysteresis and Allostery in Human Udp-Glucose Dehydrogenase Require A Flexible Protein Core. Biochemistry V. 57 6848 2018.
ISSN: ISSN 1520-4995
PubMed: 30457329
DOI: 10.1021/ACS.BIOCHEM.8B00497
Page generated: Fri Jul 26 23:18:12 2024

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