Calcium in PDB 3mn6: Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation

The structure of Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation, PDB code: 3mn6 was solved by A.M.Ducka, T.Sitar, G.M.Popowicz, R.Huber, T.A.Holak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	125.300, 55.950, 125.370, 90.00, 120.04, 90.00
R / Rfree (%)	19.1 / 23.9

The binding sites of Calcium atom in the Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation (pdb code 3mn6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation, PDB code: 3mn6:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca901 b:22.1 occ:1.00 O A:HOH449 2.3 23.6 1.0 O1B A:ATP800 2.4 19.0 1.0 O A:HOH428 2.4 26.2 1.0 O2G A:ATP800 2.5 17.6 1.0 O A:HOH405 2.5 20.5 1.0 O A:HOH381 2.5 19.1 1.0 O A:HOH421 2.8 23.5 1.0 PG A:ATP800 3.6 19.0 1.0 PB A:ATP800 3.6 19.9 1.0 O3B A:ATP800 4.0 19.6 1.0 O3G A:ATP800 4.0 18.1 1.0 O A:HOH464 4.2 29.5 1.0 O3A A:ATP800 4.2 19.5 1.0 OE1 A:GLN137 4.3 23.1 1.0 NZ A:LYS18 4.3 29.6 1.0 O1A A:ATP800 4.4 19.2 1.0 CA A:GLY13 4.5 25.2 1.0 CD A:GLN137 4.6 24.0 1.0 OD1 A:ASP154 4.6 24.7 1.0 O A:HOH429 4.7 28.4 1.0 OD2 A:ASP154 4.7 23.5 1.0 OD2 A:ASP11 4.8 27.3 1.0 PA A:ATP800 4.8 19.6 1.0 O A:HOH450 4.9 28.5 1.0 O1G A:ATP800 4.9 18.7 1.0 O2B A:ATP800 4.9 18.1 1.0 OD1 A:ASP11 4.9 26.6 1.0 NE2 A:GLN137 5.0 20.6 1.0

Calcium binding site 2 out of 3 in the Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca901 b:23.0 occ:1.00 O F:HOH419 2.4 29.5 1.0 O1B F:ATP800 2.4 19.3 1.0 O2G F:ATP800 2.4 18.1 1.0 O F:HOH390 2.5 17.9 1.0 O F:HOH424 2.5 30.0 1.0 O F:HOH413 2.5 21.2 1.0 O F:HOH427 2.7 26.2 1.0 PG F:ATP800 3.6 18.7 1.0 PB F:ATP800 3.6 19.4 1.0 O3G F:ATP800 3.9 17.7 1.0 O3B F:ATP800 3.9 19.5 1.0 O3A F:ATP800 4.2 20.1 1.0 NZ F:LYS18 4.2 30.0 1.0 OE1 F:GLN137 4.2 23.6 1.0 O F:HOH495 4.3 27.6 1.0 O1A F:ATP800 4.3 18.7 1.0 CA F:GLY13 4.4 25.5 1.0 O F:HOH509 4.6 33.2 1.0 CD F:GLN137 4.6 24.4 1.0 OD1 F:ASP154 4.7 25.4 1.0 PA F:ATP800 4.8 19.7 1.0 OD2 F:ASP154 4.8 24.7 1.0 OD2 F:ASP11 4.8 27.7 1.0 O F:HOH435 4.9 24.4 1.0 O1G F:ATP800 4.9 17.9 1.0 O2B F:ATP800 4.9 18.9 1.0 OD1 F:ASP11 4.9 27.4 1.0

Calcium binding site 3 out of 3 in the Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structures of Actin-Bound WH2 Domains of Spire and the Implication For Filament Nucleation within 5.0Å range: probe atom residue distance (Å) B Occ K:Ca901 b:20.3 occ:1.00 O K:HOH398 2.3 22.8 1.0 O1B K:ATP800 2.3 19.3 1.0 O2G K:ATP800 2.4 17.7 1.0 O K:HOH388 2.4 19.8 1.0 O K:HOH416 2.4 27.9 1.0 O K:HOH462 2.5 22.7 1.0 O K:HOH426 2.7 24.5 1.0 PG K:ATP800 3.5 18.8 1.0 PB K:ATP800 3.6 19.1 1.0 O3B K:ATP800 3.9 18.6 1.0 O3G K:ATP800 3.9 17.4 1.0 O3A K:ATP800 4.2 18.1 1.0 OE1 K:GLN137 4.3 21.9 1.0 NZ K:LYS18 4.3 28.6 1.0 O K:HOH465 4.4 25.0 1.0 O1A K:ATP800 4.4 18.4 1.0 CA K:GLY13 4.5 26.4 1.0 CD K:GLN137 4.6 24.0 1.0 OD1 K:ASP154 4.6 25.9 1.0 OD2 K:ASP154 4.7 24.4 1.0 O K:HOH468 4.7 32.8 1.0 OD2 K:ASP11 4.8 27.2 1.0 PA K:ATP800 4.8 19.3 1.0 O1G K:ATP800 4.8 18.6 1.0 O2B K:ATP800 4.9 16.5 1.0 O K:HOH444 4.9 29.9 1.0 OD1 K:ASP11 4.9 27.2 1.0

A.M.Ducka, P.Joel, G.M.Popowicz, K.M.Trybus, M.Schleicher, A.A.Noegel, R.Huber, T.A.Holak, T.Sitar. Structures of Actin-Bound Wiskott-Aldrich Syndrome Protein Homology 2 (WH2) Domains of Spire and the Implication For Filament Nucleation. Proc.Natl.Acad.Sci.Usa V. 107 11757 2010.
ISSN: ISSN 0027-8424
PubMed: 20538977
DOI: 10.1073/PNAS.1005347107