Calcium in PDB 3t4m: Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)

The structure of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate), PDB code: 3t4m was solved by A.Nemecz, P.W.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.20 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	108.922, 152.220, 176.775, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24

The binding sites of Calcium atom in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) (pdb code 3t4m). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate), PDB code: 3t4m:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca225 b:77.5 occ:1.00 CZ A:TYR93 4.3 25.0 1.0 OH A:TYR93 4.4 26.5 1.0 CE2 A:TYR93 4.4 29.9 1.0 OH A:TYR188 4.5 63.4 1.0 CZ A:TYR188 4.6 76.2 1.0 CZ3 A:TRP147 4.7 17.2 1.0 CE1 A:TYR93 4.8 23.4 1.0 CE2 A:TYR188 4.8 72.6 1.0 O A:TRP147 4.8 30.7 1.0 CE3 A:TRP147 4.8 22.8 1.0 CD2 A:TYR93 5.0 29.3 1.0

Calcium binding site 2 out of 9 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca225 b:80.9 occ:1.00 O B:TRP147 4.0 23.2 1.0 NH1 B:ARG186 4.1 42.0 1.0 CE3 B:TRP147 4.3 23.7 1.0 CZ3 B:TRP147 4.4 24.6 1.0 CD2 B:TRP147 4.7 21.7 1.0 O B:SER146 4.8 23.6 1.0 C B:TRP147 4.8 23.0 1.0 CH2 B:TRP147 4.8 20.8 1.0 CA B:TRP147 4.9 23.4 1.0

Calcium binding site 3 out of 9 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca225 b:66.0 occ:1.00 O C:TRP147 4.3 29.0 1.0 CZ3 C:TRP147 4.4 14.7 1.0 CE3 C:TRP147 4.5 16.0 1.0 OH C:TYR93 4.7 15.2 1.0 CZ C:TYR93 4.8 15.7 1.0 CH2 C:TRP147 4.8 16.1 1.0 CE1 C:TYR93 4.8 18.2 1.0

Calcium binding site 4 out of 9 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca225 b:98.6 occ:1.00 O D:HOH310 3.1 41.2 1.0 O D:TRP147 4.3 29.4 1.0 CZ3 C:TRP55 4.8 28.8 1.0 OH D:TYR188 4.9 64.7 1.0 CZ3 D:TRP147 4.9 24.8 1.0 CD2 C:LEU118 5.0 18.2 1.0

Calcium binding site 5 out of 9 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca225 b:81.3 occ:1.00 O E:HOH314 4.2 28.0 1.0 OH E:TYR188 4.2 65.4 1.0 O E:TRP147 4.7 26.4 1.0 CZ E:TYR93 4.7 27.1 1.0 CZ3 E:TRP147 4.9 22.4 1.0 OH E:TYR93 4.9 23.1 1.0 O E:SER146 4.9 21.8 1.0 CE2 E:TYR93 4.9 25.8 1.0 CE1 E:TYR93 5.0 24.1 1.0 CE3 E:TRP147 5.0 23.0 1.0

Calcium binding site 6 out of 9 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca225 b:62.2 occ:1.00 O F:HOH307 2.5 41.2 1.0 O F:TRP147 3.9 30.6 1.0 CZ3 F:TRP147 4.1 24.3 1.0 CE3 F:TRP147 4.1 27.6 1.0 O F:HOH304 4.2 27.6 1.0 CD1 F:TYR195 4.4 46.0 1.0 CE2 F:TYR93 4.4 31.0 1.0 CH2 F:TRP147 4.4 21.3 1.0 CD2 F:TRP147 4.4 26.6 1.0 CZ F:TYR93 4.5 31.1 1.0 CE1 F:TYR195 4.6 47.0 1.0 OH F:TYR93 4.7 33.0 1.0 CD2 F:TYR188 4.7 49.5 1.0 CE2 F:TYR188 4.7 46.5 1.0 CG F:TYR188 4.7 49.5 1.0 CZ F:TYR188 4.7 55.5 1.0 CE2 F:TRP147 4.8 25.1 1.0 CD1 F:TYR188 4.8 54.2 1.0 CE1 F:TYR188 4.8 58.4 1.0 CZ2 F:TRP147 4.8 22.9 1.0 C F:TRP147 4.8 26.4 1.0 CD2 F:TYR93 4.8 28.5 1.0 CZ3 J:TRP55 4.9 26.8 1.0 CH2 J:TRP55 4.9 31.2 1.0 CA F:TRP147 4.9 28.6 1.0 CE1 F:TYR93 4.9 27.7 1.0 O F:SER146 4.9 28.7 1.0

Calcium binding site 7 out of 9 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca225 b:77.2 occ:1.00 NH2 G:ARG186 4.4 42.0 1.0 CZ3 G:TRP147 4.4 25.1 1.0 CZ G:TYR93 4.5 28.9 1.0 CE3 G:TRP147 4.5 24.3 1.0 CE1 G:TYR93 4.5 26.3 1.0 O G:TRP147 4.7 31.2 1.0 CE2 G:TYR93 4.8 27.2 1.0 OH G:TYR93 4.8 31.5 1.0 CD1 G:TYR93 4.8 32.6 1.0 CH2 G:TRP147 4.9 25.1 1.0 O G:SER146 4.9 23.9 1.0

Calcium binding site 8 out of 9 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca225 b:76.4 occ:1.00 CZ3 H:TRP147 4.3 31.5 1.0 CE3 H:TRP147 4.5 32.2 1.0 CH2 H:TRP147 4.6 31.7 1.0 O H:TRP147 4.7 29.2 1.0 CZ H:TYR93 4.7 39.0 1.0 CE1 H:TYR93 4.7 34.4 1.0 OH H:TYR93 4.9 39.2 1.0 CD2 H:TRP147 4.9 31.0 1.0 CH2 G:TRP55 5.0 38.1 1.0 CE2 H:TYR93 5.0 41.4 1.0 CZ3 G:TRP55 5.0 40.4 1.0

Calcium binding site 9 out of 9 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (Intermediate) within 5.0Å range: probe atom residue distance (Å) B Occ J:Ca225 b:72.9 occ:1.00 O J:TRP147 4.4 33.3 1.0 CZ3 J:TRP147 4.6 31.2 1.0 CE2 J:TYR188 4.6 70.7 1.0 CZ3 I:TRP55 4.7 30.1 1.0 CE3 J:TRP147 4.7 29.5 1.0 O J:HOH303 4.8 36.9 1.0 CH2 J:TRP147 4.9 31.7 1.0 CH2 I:TRP55 4.9 30.5 1.0 CD1 I:LEU118 4.9 28.9 1.0 OH J:TYR188 5.0 70.1 1.0

A.Nemecz, P.Taylor. Creating An Alpha-7 Nicotinic Acetylcholine Recognition Domain From the Acetylcholine Binding Protein: Crystallographic and Ligand Selectivity Analyses J.Biol.Chem. V. 286 42555 2011.
ISSN: ISSN 0021-9258
PubMed: 22009746
DOI: 10.1074/JBC.M111.286583