Calcium in PDB 1wua: The Structure of Aplyronine A-Actin Complex

The structure of The Structure of Aplyronine A-Actin Complex, PDB code: 1wua was solved by K.Hirata, S.Muraoka, K.Suenaga, T.Kuroda, K.Kato, H.Tanaka, M.Yamamoto, M.Takata, K.Yamada, H.Kigoshi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.53 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.704, 75.123, 67.546, 90.00, 95.23, 90.00
R / Rfree (%)	15.1 / 17.6

The binding sites of Calcium atom in the The Structure of Aplyronine A-Actin Complex (pdb code 1wua). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the The Structure of Aplyronine A-Actin Complex, PDB code: 1wua:

Calcium binding site 1 out of 1 in the The Structure of Aplyronine A-Actin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of Aplyronine A-Actin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1360 b:14.8 occ:1.00 H2 A:HOH1511 1.4 9.6 0.0 H1 A:HOH1508 1.7 10.4 0.0 H2 A:HOH1508 1.9 10.4 0.0 H2 A:HOH1510 2.0 10.0 0.0 O2B A:ATP1380 2.1 8.1 1.0 O A:HOH1511 2.1 9.5 1.0 O3G A:ATP1380 2.1 9.3 1.0 O A:HOH1510 2.1 9.7 1.0 O A:HOH1509 2.1 9.0 1.0 O A:HOH1508 2.1 10.7 1.0 H1 A:HOH1511 2.4 9.6 0.0 H2 A:HOH1509 2.5 9.1 0.0 H2 A:HOH1689 2.9 29.4 0.0 H1 A:HOH1509 2.9 9.1 0.0 H1 A:HOH1510 2.9 10.0 0.0 HZ2 A:LYS18 3.2 7.6 0.0 PB A:ATP1380 3.3 8.8 1.0 PG A:ATP1380 3.4 11.4 1.0 H2 A:HOH1449 3.5 17.0 0.0 O3B A:ATP1380 3.6 8.8 1.0 HZ2 A:LYS18 3.6 8.4 0.0 O A:HOH1689 3.7 29.0 1.0 H1 A:HOH1689 3.8 29.4 0.0 H1 A:HOH1449 3.9 17.0 0.0 HG22 A:VAL339 4.0 10.6 1.0 O A:HOH1423 4.0 13.4 1.0 HA3 A:GLY156 4.0 8.8 1.0 HA2 A:GLY13 4.0 10.5 1.0 H1 A:HOH1411 4.0 13.3 0.0 O A:HOH1411 4.0 13.3 1.0 O3A A:ATP1380 4.1 8.4 1.0 O1A A:ATP1380 4.1 10.2 1.0 O1G A:ATP1380 4.1 11.0 1.0 OE1 A:GLN137 4.1 10.2 1.0 NZ A:LYS18 4.2 7.4 0.5 O A:HOH1449 4.2 17.4 1.0 HA3 A:GLY13 4.3 10.5 1.0 OD1 A:ASP11 4.3 10.1 1.0 OD1 A:ASP154 4.4 10.6 1.0 HZ1 A:LYS18 4.4 7.6 0.0 OD2 A:ASP11 4.4 8.8 1.0 H2 A:HOH1411 4.5 13.3 0.0 H1 A:HOH1423 4.5 13.5 0.0 O1B A:ATP1380 4.5 8.6 1.0 NZ A:LYS18 4.5 8.2 0.5 O2G A:ATP1380 4.5 11.9 1.0 PA A:ATP1380 4.6 9.6 1.0 HZ3 A:LYS18 4.6 7.6 0.0 CD A:GLN137 4.6 8.8 1.0 HZ1 A:LYS18 4.6 8.4 0.0 HB3 A:GLN137 4.6 9.0 1.0 CA A:GLY13 4.7 10.5 1.0 HG2 A:GLN137 4.7 9.0 1.0 H2 A:HOH1423 4.7 13.5 0.0 H2 A:HOH1410 4.7 16.1 0.0 OD2 A:ASP154 4.7 17.3 1.0 CG A:ASP11 4.8 9.3 1.0 CA A:GLY156 4.8 8.9 1.0 O A:HOH1461 4.9 17.8 1.0 CG2 A:VAL339 4.9 10.7 1.0 HE3 A:LYS18 4.9 8.8 0.5 HA2 A:GLY156 4.9 8.9 1.0 H A:SER14 4.9 10.8 1.0 HE3 A:LYS18 4.9 8.5 0.5 CG A:ASP154 4.9 11.8 1.0

K.Hirata, S.Muraoka, K.Suenaga, T.Kuroda, K.Kato, H.Tanaka, M.Yamamoto, M.Takata, K.Yamada, H.Kigoshi. Structure Basis For Antitumor Effect of Aplyronine A J.Mol.Biol. V. 356 945 2006.
ISSN: ISSN 0022-2836
PubMed: 16406066
DOI: 10.1016/J.JMB.2005.12.031