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Chlorine in PDB 5iso: Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991)

Enzymatic activity of Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991)

All present enzymatic activity of Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991):
2.7.11.1; 2.7.11.27; 2.7.11.31;

Protein crystallography data

The structure of Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991), PDB code: 5iso was solved by B.Xiao, J.A.Hubbard, S.J.Gamblin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.97 / 2.63
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.420, 129.390, 139.280, 90.00, 92.73, 90.00
R / Rfree (%) 17.8 / 23

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991) (pdb code 5iso). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991), PDB code: 5iso:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5iso

Go back to Chlorine Binding Sites List in 5iso
Chlorine binding site 1 out of 2 in the Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:66.0
occ:1.00
 CL1 A:992602 0.0 66.0 1.0
C10 A:992602 1.7 68.5 1.0
C7 A:992602 2.7 57.9 1.0
C11 A:992602 2.7 70.8 1.0
C2 A:992602 3.1 60.5 1.0
C21 A:992602 3.3 60.5 1.0
CG2 B:VAL113 3.5 52.9 1.0
CD1 B:ILE115 3.8 44.5 1.0
CZ A:PHE90 3.9 55.4 1.0
CG1 B:VAL81 4.0 40.5 1.0
C14 A:992602 4.0 61.0 1.0
C12 A:992602 4.0 71.8 1.0
C3 A:992602 4.0 65.2 1.0
CE2 A:PHE90 4.1 49.3 1.0
CG2 B:VAL81 4.1 56.7 1.0
CG1 B:ILE115 4.2 49.0 1.0
CG1 B:VAL113 4.3 45.3 1.0
CB B:VAL113 4.4 46.2 1.0
C6 A:992602 4.4 62.4 1.0
C13 A:992602 4.5 62.5 1.0
CD1 A:ILE46 4.7 49.8 1.0
CB B:VAL81 4.7 53.1 1.0
CG1 A:VAL11 4.8 64.8 1.0
CD B:ARG83 4.9 67.0 1.0
CD1 A:LEU18 4.9 49.6 1.0

Chlorine binding site 2 out of 2 in 5iso

Go back to Chlorine Binding Sites List in 5iso
Chlorine binding site 2 out of 2 in the Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:77.6
occ:1.00
 CL1 C:992602 0.0 77.6 1.0
C10 C:992602 1.7 81.9 1.0
C11 C:992602 2.7 83.8 1.0
C7 C:992602 2.8 86.2 1.0
C2 C:992602 3.2 83.5 1.0
C21 C:992602 3.4 67.5 1.0
CD1 D:ILE115 3.8 60.5 1.0
CG1 D:VAL81 3.9 69.1 1.0
CG2 D:VAL113 3.9 70.4 1.0
C12 C:992602 4.0 82.8 1.0
CZ C:PHE90 4.0 66.4 1.0
C14 C:992602 4.0 87.3 1.0
CE2 C:PHE90 4.1 59.5 1.0
C3 C:992602 4.2 82.5 1.0
CG1 D:ILE115 4.3 68.2 1.0
CG2 D:VAL81 4.4 81.7 1.0
CG1 D:VAL113 4.4 79.4 1.0
C6 C:992602 4.5 81.1 1.0
C13 C:992602 4.5 85.5 1.0
CD1 C:LEU18 4.5 65.1 1.0
CG1 C:VAL11 4.7 66.6 1.0
CB D:VAL113 4.7 75.7 1.0
CD1 C:ILE46 4.7 49.3 1.0
CB D:VAL81 4.8 80.3 1.0

Reference:

B.Xiao, J.A.Hubbard, S.J.Gamblin. Structure of Full Length Human Ampk (Non-Phosphorylated at T-Loop) in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991) To Be Published.
Page generated: Fri Jul 26 09:35:03 2024

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