Calcium in PDB 6jbk: Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V

The structure of Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, PDB code: 6jbk 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)	19.97 / 2.45
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.220, 81.192, 89.869, 90.62, 107.19, 109.63
R / Rfree (%)	18.7 / 23.9

The binding sites of Calcium atom in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V (pdb code 6jbk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V, PDB code: 6jbk:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V


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 the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:20.5 occ:1.00 O1B A:ATP401 2.3 19.7 1.0 O A:HOH538 2.3 11.4 1.0 O2G A:ATP401 2.3 19.9 1.0 O A:HOH554 2.4 21.5 1.0 O A:HOH566 2.5 20.1 1.0 O A:HOH569 2.5 17.6 1.0 O A:HOH523 2.6 12.6 1.0 PG A:ATP401 3.6 17.1 1.0 PB A:ATP401 3.6 21.3 1.0 O3B A:ATP401 4.0 20.6 1.0 O3G A:ATP401 4.0 15.7 1.0 OE1 A:GLN137 4.2 15.9 1.0 O A:HOH582 4.2 22.8 1.0 CA A:GLY13 4.3 25.8 1.0 O1A A:ATP401 4.3 16.9 1.0 O3A A:ATP401 4.3 21.2 1.0 CD A:GLN137 4.4 18.5 1.0 O A:HOH526 4.5 17.9 1.0 NZ A:LYS18 4.5 21.0 1.0 OD1 A:ASP11 4.6 21.8 1.0 OD2 A:ASP154 4.6 24.8 1.0 OD2 A:ASP11 4.7 21.6 1.0 PA A:ATP401 4.8 21.8 1.0 O A:HOH567 4.8 24.6 1.0 O1G A:ATP401 4.8 19.7 1.0 O2B A:ATP401 4.8 21.8 1.0 NE2 A:GLN137 4.9 17.4 1.0 CG2 A:VAL339 4.9 20.7 1.0 CG A:GLN137 4.9 18.9 1.0 OD1 A:ASP154 4.9 25.0 1.0

Calcium binding site 2 out of 8 in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V


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 the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:51.5 occ:1.00 OD2 A:ASP288 2.3 47.4 1.0 O G:ASP363 2.4 56.5 1.0 OD1 A:ASP286 2.4 46.7 1.0 OD2 A:ASP286 2.7 49.0 1.0 CG A:ASP286 2.9 46.3 1.0 O A:HOH590 3.0 39.5 1.0 C G:ASP363 3.5 55.1 1.0 CG A:ASP288 3.5 45.3 1.0 CA G:ASP363 4.0 51.5 1.0 CB A:ASP288 4.2 40.5 1.0 CB A:ASP286 4.4 41.7 1.0 OD1 A:ASP288 4.4 49.6 1.0 N G:GLU364 4.6 56.6 1.0 O G:TYR362 4.6 40.5 1.0 CG2 A:ILE287 4.6 34.8 1.0 CB G:ASP363 4.7 53.9 1.0 N A:ASP288 4.8 37.1 1.0 CA G:GLU364 5.0 60.2 1.0

Calcium binding site 3 out of 8 in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V


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 the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca402 b:18.9 occ:1.00 O1B C:ATP401 2.2 24.9 1.0 O2G C:ATP401 2.2 23.8 1.0 O C:HOH552 2.4 17.4 1.0 O C:HOH569 2.4 17.5 1.0 O C:HOH537 2.5 12.5 1.0 O C:HOH549 2.5 25.3 1.0 O C:HOH540 2.6 15.5 1.0 PB C:ATP401 3.5 26.6 1.0 PG C:ATP401 3.5 22.3 1.0 O3B C:ATP401 3.9 26.5 1.0 O3G C:ATP401 3.9 22.3 1.0 O C:HOH579 4.1 21.6 1.0 O3A C:ATP401 4.1 24.6 1.0 O1A C:ATP401 4.2 20.0 1.0 CA C:GLY13 4.2 26.5 1.0 OE1 C:GLN137 4.4 18.4 1.0 NZ C:LYS18 4.5 19.8 1.0 O C:HOH538 4.6 10.1 1.0 CD C:GLN137 4.6 19.7 1.0 PA C:ATP401 4.7 22.9 1.0 OD1 C:ASP11 4.7 22.8 1.0 OD2 C:ASP154 4.7 19.9 1.0 O2B C:ATP401 4.7 25.7 1.0 O1G C:ATP401 4.7 22.9 1.0 O C:HOH515 4.8 24.8 1.0 OD2 C:ASP11 4.8 22.2 1.0 OD1 C:ASP154 4.9 24.9 1.0

Calcium binding site 4 out of 8 in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca403 b:41.6 occ:1.00 OD1 C:ASP288 2.3 42.4 1.0 O C:HOH592 2.4 31.0 1.0 O E:ASP363 2.4 47.6 1.0 O E:HOH574 2.5 23.0 1.0 OD2 C:ASP286 2.5 36.3 1.0 OD1 C:ASP286 2.6 36.5 1.0 CG C:ASP286 2.9 35.3 1.0 C E:ASP363 3.4 46.8 1.0 CG C:ASP288 3.5 40.9 1.0 CA E:ASP363 3.9 43.1 1.0 CB C:ASP288 4.1 37.8 1.0 O E:TYR362 4.4 38.0 1.0 CB C:ASP286 4.4 32.5 1.0 OD2 C:ASP288 4.5 42.6 1.0 N E:GLU364 4.5 49.4 1.0 CB E:ASP363 4.7 42.4 1.0 CG2 C:ILE287 4.8 33.7 1.0 N C:ASP288 4.8 33.5 1.0 O C:HOH617 4.8 30.4 1.0 CA E:GLU364 4.9 54.4 1.0

Calcium binding site 5 out of 8 in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca402 b:23.1 occ:1.00 O1B E:ATP401 2.2 22.2 1.0 O2G E:ATP401 2.2 23.7 1.0 O E:HOH539 2.4 17.8 1.0 O E:HOH527 2.4 20.1 1.0 O E:HOH520 2.7 12.2 1.0 O E:HOH545 2.7 22.2 1.0 O E:HOH541 2.8 24.7 1.0 PG E:ATP401 3.5 20.2 1.0 PB E:ATP401 3.6 22.8 1.0 O3G E:ATP401 4.0 20.9 1.0 O3B E:ATP401 4.0 24.1 1.0 O1A E:ATP401 4.1 23.9 1.0 O3A E:ATP401 4.3 26.3 1.0 OE1 E:GLN137 4.3 24.8 1.0 CA E:GLY13 4.3 23.4 1.0 O E:HOH564 4.3 25.4 1.0 CD E:GLN137 4.5 24.1 1.0 O E:HOH554 4.5 14.3 1.0 NZ E:LYS18 4.5 27.4 1.0 OD2 E:ASP11 4.6 27.5 1.0 PA E:ATP401 4.7 26.2 1.0 OD2 E:ASP154 4.7 21.4 1.0 OD1 E:ASP11 4.7 26.5 1.0 NE2 E:GLN137 4.7 23.9 1.0 O1G E:ATP401 4.7 20.4 1.0 O2B E:ATP401 4.8 25.6 1.0 O E:HOH511 4.8 27.2 1.0 OD1 E:ASP154 4.9 25.3 1.0 CG2 E:VAL339 4.9 24.0 1.0

Calcium binding site 6 out of 8 in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca403 b:37.1 occ:1.00 OD2 E:ASP288 2.4 42.5 1.0 OD1 E:ASP286 2.4 51.7 1.0 O C:ASP363 2.4 43.6 1.0 O C:HOH577 2.7 20.6 1.0 OD2 E:ASP286 2.9 51.1 1.0 O E:HOH580 2.9 22.8 1.0 CG E:ASP286 3.0 50.0 1.0 C C:ASP363 3.5 43.6 1.0 CG E:ASP288 3.5 41.1 1.0 CA C:ASP363 3.9 41.4 1.0 CB E:ASP288 4.0 37.0 1.0 CB E:ASP286 4.4 45.7 1.0 O C:TYR362 4.5 38.2 1.0 OD1 E:ASP288 4.6 43.8 1.0 N C:GLU364 4.6 46.3 1.0 CB C:ASP363 4.7 40.8 1.0 N E:ASP288 4.7 32.2 1.0 CG2 E:ILE287 4.8 29.5 1.0 CA C:GLU364 5.0 50.9 1.0

Calcium binding site 7 out of 8 in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca402 b:26.3 occ:1.00 O1B G:ATP401 2.3 28.3 1.0 O G:HOH549 2.3 24.4 1.0 O2G G:ATP401 2.3 29.7 1.0 O G:HOH523 2.5 12.8 1.0 O G:HOH527 2.5 21.3 1.0 O G:HOH529 2.8 27.5 1.0 O G:HOH536 2.8 28.3 1.0 PG G:ATP401 3.5 27.9 1.0 PB G:ATP401 3.6 30.4 1.0 O3G G:ATP401 3.9 26.1 1.0 O3B G:ATP401 4.0 30.8 1.0 O3A G:ATP401 4.2 29.6 1.0 O1A G:ATP401 4.2 28.3 1.0 O G:HOH568 4.2 38.1 1.0 CA G:GLY13 4.3 29.8 1.0 OE1 G:GLN137 4.3 29.1 1.0 NZ G:LYS18 4.5 27.1 1.0 O G:HOH534 4.5 17.3 1.0 CD G:GLN137 4.5 28.3 1.0 OD2 G:ASP154 4.6 28.7 1.0 OD1 G:ASP11 4.6 25.9 1.0 PA G:ATP401 4.7 29.3 1.0 OD2 G:ASP11 4.7 26.4 1.0 O1G G:ATP401 4.8 27.8 1.0 O G:HOH552 4.8 21.5 1.0 O2B G:ATP401 4.9 32.3 1.0 NE2 G:GLN137 4.9 27.3 1.0 OD1 G:ASP154 4.9 28.7 1.0

Calcium binding site 8 out of 8 in the Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of An Actin Monomer in Complex with the Nucleator Cordon-Bleu WH2-Motif Peptide Mutant. T22V within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca403 b:48.2 occ:1.00 OD1 G:ASP286 2.5 52.9 1.0 O A:ASP363 2.5 52.3 1.0 O G:HOH580 2.5 38.0 1.0 OD2 G:ASP288 2.5 39.7 1.0 O A:HOH555 2.7 39.7 1.0 OD2 G:ASP286 2.7 51.7 1.0 CG G:ASP286 2.9 51.0 1.0 C A:ASP363 3.5 51.2 1.0 CG G:ASP288 3.7 39.0 1.0 CA A:ASP363 4.0 45.1 1.0 CG2 G:ILE287 4.3 34.5 1.0 CB G:ASP288 4.4 37.1 1.0 CB G:ASP286 4.4 46.6 1.0 O A:TYR362 4.7 35.3 1.0 CB A:ASP363 4.7 44.5 1.0 N A:GLU364 4.7 56.5 1.0 OD1 G:ASP288 4.7 39.9 1.0 N G:ASP288 4.8 35.2 1.0

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