Atomistry » Chlorine » PDB 4ced-4ck4 » 4cfe
Atomistry »
  Chlorine »
    PDB 4ced-4ck4 »
      4cfe »

Chlorine in PDB 4cfe: Structure of Full Length Human Ampk in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991)

Enzymatic activity of Structure of Full Length Human Ampk in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991)

All present enzymatic activity of Structure of Full Length Human Ampk 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 in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991), PDB code: 4cfe was solved by B.Xiao, M.J.Sanders, D.Carmena, N.J.Bright, L.F.Haire, E.Underwood, B.R.Patel, R.B.Heath, P.A.Walker, S.Hallen, F.Giordanetto, S.R.Martin, D.Carling, S.J.Gamblin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.914 / 3.02
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.030, 134.141, 140.558, 90.00, 92.42, 90.00
R / Rfree (%) 21.76 / 25.29

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Full Length Human Ampk in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991) (pdb code 4cfe). 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 in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991), PDB code: 4cfe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4cfe

Go back to Chlorine Binding Sites List in 4cfe
Chlorine binding site 1 out of 2 in the Structure of Full Length Human Ampk 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 in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1553

b:62.8
occ:1.00
CL1 A:9921553 0.0 62.8 1.0
C10 A:9921553 1.7 62.9 1.0
C11 A:9921553 2.7 61.4 1.0
C7 A:9921553 2.7 64.9 1.0
C2 A:9921553 3.1 67.4 1.0
C21 A:9921553 3.3 66.2 1.0
CG2 B:VAL113 3.6 51.7 1.0
CG1 B:VAL81 3.7 49.8 1.0
CZ A:PHE90 3.8 48.7 1.0
C12 A:9921553 4.0 64.2 1.0
C14 A:9921553 4.0 65.8 1.0
CD1 B:ILE115 4.1 46.0 1.0
C3 A:9921553 4.1 71.1 1.0
CE2 A:PHE90 4.1 47.4 1.0
CG1 B:VAL113 4.3 53.1 1.0
C6 A:9921553 4.3 68.8 1.0
CG2 B:VAL81 4.4 50.4 1.0
CB B:VAL113 4.4 52.7 1.0
CG1 B:ILE115 4.4 48.8 1.0
C13 A:9921553 4.5 64.4 1.0
CD1 A:ILE46 4.6 46.2 1.0
CB B:VAL81 4.7 50.3 1.0
CD1 A:LEU18 5.0 42.5 1.0

Chlorine binding site 2 out of 2 in 4cfe

Go back to Chlorine Binding Sites List in 4cfe
Chlorine binding site 2 out of 2 in the Structure of Full Length Human Ampk 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 in Complex with A Small Molecule Activator, A Benzimidazole Derivative (991) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1553

b:75.6
occ:1.00
CL1 C:9921553 0.0 75.6 1.0
C23 C:9921553 0.2 74.3 1.0
C12 C:9921553 0.2 74.0 1.0
C10 C:9921553 0.6 74.3 1.0
C11 C:9921553 0.6 73.7 1.0
O25 C:9921553 0.6 74.8 1.0
C26 C:9921553 0.9 74.9 1.0
N21 C:9921553 0.9 74.2 1.0
CE C:LYS51 1.2 91.0 1.0
C13 C:9921553 1.3 74.5 1.0
N22 C:9921553 1.3 74.5 1.0
NZ C:LYS51 1.5 89.6 1.0
C31 C:9921553 1.5 76.1 1.0
NZ C:LYS12 1.6 91.5 1.0
CG1 C:VAL11 1.6 68.1 1.0
C7 C:9921553 1.8 74.8 1.0
N C:LYS12 1.8 73.5 1.0
O C:ARG10 1.9 79.0 1.0
C27 C:9921553 2.0 74.3 1.0
CE C:LYS12 2.0 87.2 1.0
CA C:VAL11 2.1 71.9 1.0
C14 C:9921553 2.2 74.9 1.0
CG1 D:ILE115 2.3 69.5 1.0
CD C:LYS51 2.3 88.9 1.0
CD C:LYS12 2.3 84.8 1.0
C C:VAL11 2.3 70.5 1.0
CD1 D:ILE115 2.5 61.8 1.0
C30 C:9921553 2.5 77.4 1.0
CG C:LYS12 2.6 80.9 1.0
CB C:VAL11 2.6 70.3 1.0
C2 C:9921553 2.9 75.2 1.0
C28 C:9921553 2.9 74.9 1.0
CG C:LYS51 2.9 89.9 1.0
C C:ARG10 3.0 77.2 1.0
CB D:ILE115 3.0 72.0 1.0
CA C:LYS12 3.0 75.0 1.0
C29 C:9921553 3.0 76.5 1.0
CB C:LYS12 3.0 78.5 1.0
N C:VAL11 3.2 74.0 1.0
C21 C:9921553 3.2 75.0 1.0
N D:ILE115 3.4 73.9 1.0
CG2 C:VAL11 3.4 72.5 1.0
O20 C:9921553 3.4 82.0 1.0
CG1 D:VAL113 3.4 70.9 1.0
NH1 D:ARG83 3.4 75.8 1.0
O C:LYS12 3.5 78.2 1.0
ND2 C:ASN48 3.5 78.9 1.0
CG2 D:VAL113 3.5 73.1 1.0
O C:VAL11 3.5 67.8 1.0
CG2 C:ILE46 3.5 60.9 1.0
OD1 C:ASP88 3.5 75.5 1.0
C18 C:9921553 3.6 80.3 1.0
CB C:ASN48 3.6 76.4 1.0
C C:LYS12 3.7 75.8 1.0
OH A:TYR450 3.7 0.2 1.0
CD D:ARG83 3.7 69.0 1.0
CA D:ILE115 3.8 74.3 1.0
CZ D:ARG83 3.9 76.0 1.0
CG1 D:VAL81 3.9 76.3 1.0
O D:ILE115 3.9 75.5 1.0
CB C:LYS51 3.9 88.8 1.0
C3 C:9921553 3.9 76.1 1.0
CD1 C:ILE46 4.0 59.5 1.0
CG C:ASN48 4.0 77.8 1.0
CD1 C:LEU18 4.0 58.1 1.0
CZ C:PHE90 4.0 58.0 1.0
CB D:VAL113 4.1 71.5 1.0
N C:ARG10 4.1 82.4 1.0
NE D:ARG83 4.2 72.4 1.0
CG C:ASP88 4.2 75.5 1.0
C6 C:9921553 4.2 76.7 1.0
CE1 C:PHE90 4.2 55.4 1.0
C32 C:9921553 4.2 75.8 1.0
CG2 D:ILE115 4.2 74.2 1.0
CA C:ARG10 4.3 78.8 1.0
NH2 D:ARG83 4.3 79.3 1.0
C D:ALA114 4.3 74.0 1.0
OD2 C:ASP88 4.4 78.6 1.0
CG2 D:VAL81 4.5 78.3 1.0
CB C:ILE46 4.5 59.2 1.0
C D:ILE115 4.5 76.2 1.0
CG C:ARG10 4.5 77.7 1.0
N C:ASN48 4.6 71.7 1.0
O19 C:9921553 4.6 81.1 1.0
CA D:ALA114 4.6 71.1 1.0
NH1 C:ARG10 4.7 87.2 1.0
CA C:ASN48 4.7 76.1 1.0
OE2 A:GLU429 4.8 0.2 1.0
CB D:VAL81 4.8 78.5 1.0
N C:ILE13 4.8 75.0 1.0
N D:ALA114 4.9 70.7 1.0
C8 C:9921553 4.9 77.7 1.0
CG1 C:ILE46 4.9 58.1 1.0
CG D:ARG83 4.9 68.1 1.0
CZ A:TYR450 4.9 0.8 1.0
C4 C:9921553 5.0 76.9 1.0
OE1 C:GLN36 5.0 80.6 1.0

Reference:

B.Xiao, M.J.Sanders, D.Carmena, N.J.Bright, L.F.Haire, E.Underwood, B.R.Patel, R.B.Heath, P.A.Walker, S.Hallen, F.Giordanetto, S.R.Martin, D.Carling, S.J.Gamblin. Structural Basis of Ampk Regulation By Small Molecule Activators. Nat.Commun. V. 4 3017 2013.
ISSN: ISSN 2041-1723
PubMed: 24352254
DOI: 10.1038/NCOMMS4017
Page generated: Fri Jul 11 13:56:43 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy