Calcium in PDB 6jcu: Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R

The structure of Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R, PDB code: 6jcu was solved by C.P.M.Scipion, R.C.Robinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.946, 184.213, 55.673, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 23

The binding sites of Calcium atom in the Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R (pdb code 6jcu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R, PDB code: 6jcu:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:24.6 occ:1.00 O A:HOH520 2.3 27.5 1.0 O2G A:ATP401 2.3 21.6 1.0 O A:HOH530 2.3 25.4 1.0 O1B A:ATP401 2.3 21.8 1.0 O A:HOH526 2.4 21.3 1.0 O A:HOH514 2.8 26.2 1.0 PG A:ATP401 3.5 26.0 1.0 PB A:ATP401 3.6 22.2 1.0 O3B A:ATP401 3.9 25.6 1.0 O1G A:ATP401 4.0 24.5 1.0 OE1 A:GLN137 4.0 23.4 1.0 O A:HOH528 4.2 30.6 1.0 O2A A:ATP401 4.2 23.9 1.0 CD A:GLN137 4.2 26.5 1.0 O A:HOH518 4.3 35.2 1.0 O3A A:ATP401 4.3 23.2 1.0 CA A:GLY13 4.4 27.1 1.0 O A:HOH533 4.4 26.3 1.0 OD1 A:ASP11 4.5 24.6 1.0 NZ A:LYS18 4.5 23.3 1.0 OD1 A:ASP154 4.5 28.6 1.0 OD2 A:ASP11 4.6 29.4 1.0 OD2 A:ASP154 4.7 32.9 1.0 NE2 A:GLN137 4.7 25.8 1.0 PA A:ATP401 4.8 25.0 1.0 O3G A:ATP401 4.8 25.0 1.0 CG A:GLN137 4.9 27.2 1.0 O2B A:ATP401 4.9 22.1 1.0 CB A:GLN137 5.0 24.2 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:81.5 occ:1.00 OG1 A:THR66 2.7 37.0 1.0 OE1 C:GLN263 2.8 30.6 1.0 O A:HOH531 2.9 30.4 1.0 O C:HOH565 3.0 35.3 1.0 O A:THR66 3.3 37.1 1.0 CB A:THR66 3.5 37.0 1.0 C A:THR66 3.7 38.6 1.0 CD C:GLN263 3.9 27.2 1.0 CG A:LYS68 4.0 29.3 1.0 O A:HOH507 4.0 33.0 1.0 O A:HOH642 4.1 34.2 1.0 O A:HOH522 4.2 38.6 1.0 CB A:ARG37 4.2 37.2 1.0 CA A:THR66 4.2 38.1 1.0 CD A:LYS68 4.2 36.4 1.0 NE2 C:GLN263 4.3 28.1 1.0 CD A:ARG37 4.3 34.6 1.0 CE A:LYS68 4.3 39.5 1.0 CE1 C:PHE266 4.4 30.3 1.0 N A:LEU67 4.4 35.2 1.0 N A:ARG37 4.5 37.4 1.0 C A:LEU67 4.6 32.0 1.0 CG A:ARG37 4.6 33.4 1.0 OE1 C:GLU224 4.7 35.3 1.0 CG2 A:THR66 4.7 33.7 1.0 O A:LEU67 4.7 29.9 1.0 NH1 A:ARG37 4.8 29.3 1.0 N A:LYS68 4.8 29.9 1.0 CA A:LEU67 4.9 33.0 1.0 CB A:LYS68 4.9 30.4 1.0 CA A:ARG37 4.9 38.1 1.0 NZ A:LYS68 4.9 35.0 1.0 N A:THR66 5.0 36.1 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of An Actin Monomer in Complex with A Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, H11R within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca402 b:23.6 occ:1.00 O C:HOH581 2.1 21.2 1.0 O C:HOH539 2.3 21.5 1.0 O3G C:ATP401 2.3 25.4 1.0 O1B C:ATP401 2.3 23.2 1.0 O C:HOH523 2.4 24.8 1.0 O C:HOH521 2.8 24.6 1.0 O C:HOH513 2.8 23.4 1.0 PG C:ATP401 3.6 21.2 1.0 PB C:ATP401 3.6 22.0 1.0 O3B C:ATP401 3.9 22.6 1.0 O2G C:ATP401 4.0 19.1 1.0 OE1 C:GLN137 4.1 25.3 1.0 O C:HOH567 4.2 28.3 1.0 NZ C:LYS18 4.2 25.3 1.0 O2A C:ATP401 4.3 23.9 1.0 CA C:GLY13 4.3 24.2 1.0 O3A C:ATP401 4.3 22.0 1.0 CD C:GLN137 4.3 27.4 1.0 OD1 C:ASP11 4.5 29.3 1.0 O C:HOH584 4.6 25.0 1.0 OD1 C:ASP154 4.6 30.0 1.0 O C:HOH515 4.6 26.5 1.0 OD2 C:ASP154 4.6 27.7 1.0 NE2 C:GLN137 4.6 29.0 1.0 PA C:ATP401 4.7 22.6 1.0 O1G C:ATP401 4.8 23.3 1.0 OD2 C:ASP11 4.8 27.3 1.0 O2B C:ATP401 4.9 21.6 1.0 O C:ASN12 5.0 29.6 1.0 CG C:GLN137 5.0 26.2 1.0

C.P.M.Scipion, R.C.Robinson. Design of An Actin-Severing Peptide. To Be Published.