Calcium in PDB 6twq: MAGI1_2 Complexed with A 16E6 Peptide

The structure of MAGI1_2 Complexed with A 16E6 Peptide, PDB code: 6twq was solved by G.Gogl, A.Cousido-Siah, G.Trave, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.56 / 2.65
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.810, 97.130, 201.020, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 26.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Calcium atom in the MAGI1_2 Complexed with A 16E6 Peptide (pdb code 6twq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 11 binding sites of Calcium where determined in the MAGI1_2 Complexed with A 16E6 Peptide, PDB code: 6twq:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca904 b:98.1 occ:1.00 OG B:SER760 3.6 74.4 1.0 N B:SER760 3.9 68.1 1.0 CG B:HIS763 4.1 63.5 1.0 CD B:ARG759 4.1 70.3 1.0 CB B:HIS763 4.1 62.3 1.0 ND1 B:HIS763 4.2 63.6 1.0 CA B:ARG759 4.3 71.7 1.0 CB B:SER760 4.4 71.8 1.0 CB B:ARG759 4.5 72.8 1.0 CD2 B:HIS763 4.6 62.9 1.0 C B:ARG759 4.6 68.5 1.0 CD2 B:LEU729 4.7 77.1 1.0 CB B:ALA719 4.7 82.0 1.0 CE1 B:HIS763 4.8 64.3 1.0 CA B:SER760 4.8 69.0 1.0 CG B:ARG759 5.0 70.5 1.0 NE2 B:HIS763 5.0 63.9 1.0

Calcium binding site 2 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca905 b:1.0 occ:1.00 O B:VAL590 2.7 0.3 1.0 O B:GLY589 3.0 0.2 1.0 CG B:GLU592 3.5 98.9 1.0 C B:VAL590 3.9 97.6 1.0 C B:GLY589 4.0 0.3 1.0 OE2 B:GLU592 4.1 1.0 1.0 CD B:GLU592 4.2 0.6 1.0 N B:GLU592 4.5 94.9 1.0 CA B:VAL590 4.7 96.0 1.0 N B:VAL590 4.7 0.3 1.0 CB B:VAL590 4.8 88.7 1.0 CB B:GLU592 4.8 95.5 1.0 N B:ASP591 4.9 96.2 1.0 CA B:GLY589 5.0 0.9 1.0

Calcium binding site 3 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca906 b:0.6 occ:1.00 OE1 B:GLU635 3.0 93.7 1.0 OE2 B:GLU635 3.1 92.8 1.0 CD B:GLU635 3.4 90.8 1.0 CD B:LYS627 3.6 94.8 1.0 O B:LYS627 3.7 95.9 1.0 CG B:LYS627 3.9 94.3 1.0 C B:LYS627 4.6 94.5 1.0 CE B:LYS627 4.8 99.4 1.0 O B:LEU630 4.8 94.5 1.0 CG B:GLU635 4.8 85.7 1.0

Calcium binding site 4 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca907 b:0.1 occ:1.00 O B:GLY659 2.4 0.2 1.0 OD2 B:ASP701 2.4 0.7 1.0 C B:GLY659 3.1 0.3 1.0 CG B:ASP701 3.2 0.0 1.0 OD1 B:ASP701 3.4 0.8 1.0 O B:MET657 3.7 0.2 1.0 N B:LEU660 3.8 0.5 1.0 CA B:LEU660 3.8 0.7 1.0 N B:GLY659 3.9 0.2 1.0 CA B:GLY659 4.0 0.6 1.0 O B:LEU660 4.1 0.6 1.0 C B:LEU660 4.2 0.3 1.0 C B:MET657 4.2 0.8 1.0 C B:LYS658 4.5 0.8 1.0 CB B:ASP701 4.5 0.1 1.0 CG2 B:THR662 4.6 0.6 1.0 N B:LYS658 4.8 0.6 1.0 CA B:MET657 4.8 0.0 1.0 CA B:LYS658 4.9 0.1 1.0 O B:GLY661 5.0 0.4 1.0

Calcium binding site 5 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca908 b:0.0 occ:1.00 N B:GLY746 3.2 0.6 1.0 OE2 B:GLU786 3.2 98.1 1.0 CD B:LYS745 3.5 0.7 1.0 OE1 B:GLU786 3.7 95.8 1.0 CA B:LYS745 3.7 0.2 1.0 O B:ARG744 3.7 0.7 1.0 NZ B:LYS745 3.7 0.1 1.0 CD B:GLU786 3.8 94.8 1.0 O B:GLY746 3.9 98.1 1.0 C B:LYS745 3.9 0.0 1.0 CA B:GLY746 4.1 1.0 1.0 CE B:LYS745 4.2 0.1 1.0 C B:GLY746 4.4 0.9 1.0 CG B:LYS745 4.4 0.8 1.0 O B:GLY741 4.5 94.8 1.0 CB B:LYS745 4.6 0.5 1.0 C B:ARG744 4.6 0.2 1.0 N B:LYS745 4.6 0.8 1.0

Calcium binding site 6 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca909 b:1.0 occ:1.00 O B:GLY819 2.4 65.7 1.0 O B:GLY821 2.4 71.5 1.0 OD1 B:ASP861 2.4 77.5 1.0 O B:MET817 2.6 59.0 1.0 OD2 B:ASP861 3.0 78.5 1.0 CG B:ASP861 3.1 76.1 1.0 C B:GLY821 3.4 65.7 1.0 C B:MET817 3.5 56.3 1.0 C B:GLY819 3.6 64.4 1.0 N B:GLY821 3.7 67.6 1.0 CA B:MET817 4.0 53.4 1.0 CA B:GLY821 4.0 64.6 1.0 C B:LYS820 4.2 67.7 1.0 N B:GLY819 4.3 60.4 1.0 C B:LYS818 4.4 62.8 1.0 OG1 B:THR822 4.4 70.0 1.0 N B:THR822 4.4 65.8 1.0 N B:LYS818 4.5 57.3 1.0 CA B:LYS820 4.5 67.3 1.0 N B:LYS820 4.5 65.8 1.0 CB B:ASP861 4.5 73.7 1.0 CA B:GLY819 4.6 60.6 1.0 O B:LYS818 4.6 65.3 1.0 CB B:MET817 4.7 54.2 1.0 CA B:THR822 4.8 66.5 1.0 O B:LYS820 4.9 70.0 1.0 CA B:LYS818 4.9 61.5 1.0 O B:HOH1018 4.9 50.3 1.0

Calcium binding site 7 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca903 b:0.4 occ:1.00 OE1 A:GLU635 3.1 75.1 1.0 OE2 A:GLU635 3.2 78.0 1.0 O A:LYS627 3.4 85.5 1.0 CD A:GLU635 3.5 68.3 1.0 CD A:LYS627 3.7 82.2 1.0 CG A:LYS627 3.9 82.3 1.0 C A:LYS627 4.3 81.0 1.0 O A:LEU630 4.4 77.0 1.0 CA A:LYS627 4.9 79.3 1.0 CB A:LYS627 5.0 80.2 1.0 CE A:LYS627 5.0 82.2 1.0 CG A:GLU635 5.0 58.6 1.0

Calcium binding site 8 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca904 b:0.7 occ:1.00 OD2 A:ASP701 2.2 0.4 1.0 O A:GLY659 2.4 0.9 1.0 CG2 A:THR662 2.9 88.5 1.0 CG A:ASP701 3.2 0.5 1.0 O A:GLY661 3.3 0.8 1.0 O A:LEU660 3.4 0.5 1.0 O A:MET657 3.5 93.6 1.0 C A:MET657 3.5 86.3 1.0 C A:GLY659 3.6 0.9 1.0 CA A:MET657 3.6 79.5 1.0 C A:GLY661 3.7 0.9 1.0 CB A:ASP701 3.7 95.0 1.0 C A:LEU660 3.8 0.7 1.0 CB A:THR662 4.0 88.4 1.0 CA A:THR662 4.1 92.7 1.0 N A:THR662 4.1 100.0 1.0 OD1 A:ASP701 4.1 0.2 1.0 N A:LYS658 4.1 88.4 1.0 CB A:MET657 4.2 74.3 1.0 C A:LYS658 4.3 0.3 1.0 N A:GLY659 4.3 0.2 1.0 CA A:LEU660 4.4 0.2 1.0 N A:GLY661 4.4 0.2 1.0 N A:LEU660 4.4 0.0 1.0 O A:LYS658 4.4 0.8 1.0 CA A:GLY659 4.5 0.2 1.0 CA A:GLY661 4.6 0.4 1.0 CA A:LYS658 4.7 95.3 1.0 O A:SER656 4.7 73.6 1.0 CG A:MET657 4.9 67.3 1.0 N A:MET657 4.9 77.9 1.0 CA A:ASP701 4.9 87.8 1.0

Calcium binding site 9 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca905 b:0.0 occ:1.00 O A:GLY589 2.7 93.7 1.0 O A:VAL590 2.9 93.6 1.0 C A:GLY589 3.7 95.2 1.0 C A:VAL590 4.1 88.3 1.0 CG A:GLU592 4.1 89.9 1.0 CA A:GLY589 4.5 1.0 1.0 OE2 A:GLU592 4.5 99.7 1.0 N A:VAL590 4.6 92.0 1.0 CD A:GLU592 4.7 94.8 1.0 CA A:VAL590 4.7 87.3 1.0 CB A:VAL590 4.9 85.1 1.0

Calcium binding site 10 out of 11 in the MAGI1_2 Complexed with A 16E6 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of MAGI1_2 Complexed with A 16E6 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca906 b:0.8 occ:1.00 OE2 A:GLU786 2.4 77.0 1.0 O A:ARG744 2.5 66.5 1.0 O A:GLY741 2.7 65.8 1.0 O A:GLY746 2.9 74.3 1.0 OE1 A:GLU786 3.1 78.3 1.0 CD A:GLU786 3.1 74.0 1.0 N A:GLY746 3.4 72.9 1.0 C A:ARG744 3.6 68.5 1.0 CA A:LYS745 3.6 77.0 1.0 C A:LYS745 3.8 76.3 1.0 C A:GLY746 3.8 71.5 1.0 C A:GLY741 3.9 58.8 1.0 N A:LYS745 4.0 72.2 1.0 CA A:GLY746 4.2 72.4 1.0 CA A:VAL742 4.5 63.5 1.0 CG A:GLU786 4.6 67.7 1.0 CD A:LYS745 4.6 94.1 1.0 O A:VAL742 4.6 68.0 1.0 N A:VAL742 4.6 59.1 1.0 OG1 A:THR747 4.6 68.5 1.0 NZ A:LYS745 4.7 97.2 1.0 C A:VAL742 4.8 65.7 1.0 O A:LYS745 4.8 79.5 1.0 CA A:GLY741 4.8 56.9 1.0 CA A:ARG744 4.9 71.2 1.0 CB A:LYS745 4.9 84.7 1.0 N A:ARG744 5.0 70.8 1.0

G.Gogl, A.Cousido-Siah, G.Trave. MAGI1_2 Complexed with A 16E6 Peptide To Be Published.