Calcium in PDB 6r2q: Structure of the Mtr Complex

The structure of Structure of the Mtr Complex, PDB code: 6r2q was solved by T.A.Clarke, M.J.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.25 / 2.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	212.042, 234.165, 99.192, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 25.7

The structure of Structure of the Mtr Complex also contains other interesting chemical elements:

Iron

(Fe)

20 atoms

The binding sites of Calcium atom in the Structure of the Mtr Complex (pdb code 6r2q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of the Mtr Complex, PDB code: 6r2q:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of the Mtr Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Mtr Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:47.9 occ:1.00 OD2 B:ASP287 2.4 34.0 1.0 O B:ASN259 2.6 31.6 1.0 HD21 B:ASN262 3.0 92.3 1.0 OD1 B:ASP287 3.0 38.7 1.0 CG B:ASP287 3.1 30.5 1.0 OD1 B:ASN262 3.1 76.0 1.0 ND2 B:ASN262 3.6 76.4 1.0 CG B:ASN262 3.8 85.7 1.0 C B:ASN259 3.8 28.9 1.0 O B:GLU260 3.9 37.6 1.0 HE22 B:GLN319 4.0 57.9 1.0 HA B:GLU260 4.2 35.1 1.0 C B:GLU260 4.4 34.3 1.0 HD22 B:ASN262 4.4 92.3 1.0 OE1 B:GLN319 4.4 63.1 1.0 H B:ASN259 4.5 52.1 1.0 HB3 B:ASN259 4.6 35.7 1.0 CB B:ASP287 4.6 30.7 1.0 NE2 B:GLN319 4.6 47.8 1.0 CA B:GLU260 4.6 28.7 1.0 N B:GLU260 4.7 33.5 1.0 N B:ASN259 4.7 42.9 1.0 HD2 B:LYS258 4.8 87.7 1.0 HB2 B:ASP287 4.8 37.4 1.0 CA B:ASN259 4.8 27.4 1.0 H B:ASP287 4.9 48.0 1.0 CD B:GLN319 4.9 48.6 1.0 HB3 B:LYS258 4.9 45.4 1.0 HA B:LYS258 5.0 38.5 1.0 HB3 B:ASP287 5.0 37.4 1.0

Calcium binding site 2 out of 4 in the Structure of the Mtr Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Mtr Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca702 b:28.9 occ:1.00 OD2 B:ASP395 2.1 33.8 1.0 O B:HOH810 2.3 37.2 1.0 OD1 B:ASP368 2.4 58.3 1.0 O B:HOH808 2.4 51.2 1.0 O B:ASN369 2.7 33.1 1.0 CG B:ASP395 2.9 34.1 1.0 OD1 B:ASP395 3.0 26.7 1.0 CG B:ASP368 3.5 56.2 1.0 HA B:ASN370 3.8 55.1 1.0 C B:ASN369 3.8 38.0 1.0 HB3 B:ASN370 3.9 51.2 1.0 HD21 B:ASN427 4.0 44.9 1.0 OD2 B:ASP368 4.1 48.5 1.0 CB B:ASP395 4.3 29.3 1.0 CA B:ASN370 4.4 45.4 1.0 N B:ASN370 4.5 37.0 1.0 HA B:ASP368 4.5 46.4 1.0 H B:ASN369 4.5 35.0 1.0 N B:ASN369 4.5 28.7 1.0 HB2 B:ASP395 4.6 35.7 1.0 ND2 B:ASN427 4.7 36.9 1.0 CB B:ASN370 4.7 42.2 1.0 HB3 B:ASP395 4.7 35.7 1.0 CB B:ASP368 4.7 47.2 1.0 HB3 B:ASN369 4.7 56.4 1.0 CA B:ASN369 4.8 28.1 1.0 HB2 B:PRO393 4.8 40.6 1.0 C B:ASP368 4.8 38.4 1.0 O B:PRO393 4.9 32.1 1.0 HD22 B:ASN427 4.9 44.9 1.0 CA B:ASP368 4.9 38.2 1.0 HB2 B:ASP368 5.0 57.2 1.0

Calcium binding site 3 out of 4 in the Structure of the Mtr Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of the Mtr Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca811 b:52.7 occ:1.00 O C:HOH905 1.9 52.4 1.0 O C:HOH903 2.0 57.0 1.0 O C:GLN511 2.7 43.2 1.0 OE2 C:GLU464 2.7 58.5 1.0 OE1 C:GLU464 2.7 55.1 1.0 CD C:GLU464 3.1 60.4 1.0 HG3 C:GLN333 3.9 74.4 1.0 C C:GLN511 3.9 42.2 1.0 HA C:VAL512 4.2 54.3 1.0 HG3 C:GLN511 4.2 51.9 1.0 HG2 C:GLN511 4.2 51.9 1.0 HA C:GLN333 4.3 63.2 1.0 O C:LEU465 4.3 54.3 1.0 HE21 C:GLN333 4.4 81.0 1.0 HA C:GLN511 4.4 46.0 1.0 H C:LEU465 4.4 54.9 1.0 CG C:GLU464 4.7 45.8 1.0 CG C:GLN511 4.7 42.8 1.0 CA C:GLN511 4.7 37.8 1.0 H C:ALA334 4.8 52.5 1.0 CG C:GLN333 4.8 61.5 1.0 O C:MET332 4.9 38.4 1.0 N C:VAL512 4.9 39.5 1.0 CA C:VAL512 4.9 44.8 1.0 NE2 C:GLN333 4.9 67.0 1.0

Calcium binding site 4 out of 4 in the Structure of the Mtr Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of the Mtr Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca812 b:52.8 occ:1.00 H C:GLY542 2.2 32.7 1.0 H C:GLY546 2.5 51.1 1.0 H C:ASN544 2.6 45.6 1.0 H C:THR538 2.6 51.8 1.0 N C:GLY542 3.0 26.8 1.0 HA3 C:GLY537 3.0 47.7 1.0 N C:GLY546 3.3 42.1 1.0 H C:LYS545 3.3 46.2 1.0 HB2 C:ASN544 3.3 44.4 1.0 N C:ASN544 3.4 37.5 1.0 HA3 C:GLY546 3.4 53.2 1.0 HB3 C:ALA540 3.4 55.4 1.0 N C:THR538 3.4 42.6 1.0 HA2 C:GLY542 3.5 31.1 1.0 HA2 C:GLY537 3.5 47.7 1.0 CA C:GLY542 3.6 25.4 1.0 N C:LYS545 3.6 38.0 1.0 C C:GLY542 3.6 33.0 1.0 H C:ALA543 3.6 45.9 1.0 CA C:GLY537 3.6 39.3 1.0 N C:ALA543 3.7 37.7 1.0 HD22 C:ASN544 3.8 38.0 1.0 CA C:GLY546 3.8 43.9 1.0 OG1 C:THR538 3.9 46.8 1.0 H C:ALA540 3.9 51.1 1.0 H C:SER541 3.9 43.0 1.0 N C:SER541 3.9 35.4 1.0 C C:ASN544 3.9 48.2 1.0 CA C:ASN544 4.0 34.6 1.0 CB C:ASN544 4.1 36.5 1.0 C C:GLY537 4.1 41.4 1.0 O C:GLY542 4.1 38.3 1.0 C C:SER541 4.1 30.6 1.0 C C:ALA540 4.1 45.9 1.0 HA C:SER541 4.2 37.8 1.0 HG1 C:THR538 4.2 56.7 1.0 HA2 C:GLY546 4.2 53.2 1.0 C C:LYS545 4.2 42.1 1.0 CB C:ALA540 4.3 45.6 1.0 HA C:LYS545 4.3 46.6 1.0 CA C:LYS545 4.3 38.3 1.0 CA C:SER541 4.3 31.0 1.0 C C:ALA543 4.4 33.2 1.0 ND2 C:ASN544 4.4 31.1 1.0 CA C:THR538 4.4 44.3 1.0 N C:ALA540 4.5 42.1 1.0 CA C:ALA540 4.5 46.3 1.0 HA3 C:GLY542 4.5 31.1 1.0 CA C:ALA543 4.6 34.0 1.0 O C:ALA540 4.6 55.1 1.0 C C:THR538 4.6 41.4 1.0 HG23 C:THR538 4.7 40.0 1.0 O C:ASN544 4.7 47.3 1.0 CG C:ASN544 4.7 32.9 1.0 CB C:THR538 4.7 36.6 1.0 O C:THR538 4.7 51.7 1.0 HB3 C:ALA543 4.7 53.0 1.0 HB1 C:ALA540 4.8 55.4 1.0 HB2 C:ALA540 4.8 55.4 1.0 HB3 C:ASN544 4.8 44.4 1.0 HA C:ASN544 4.9 42.1 1.0 O2D C:HEC807 4.9 36.4 1.0 N C:GLY537 4.9 34.8 1.0

M.J.Edwards, G.F.White, J.N.Butt, D.J.Richardson, T.A.Clarke. The Crystal Structure of A Biological Insulated Transmembrane Molecular Wire. Cell 2020.
ISSN: ISSN 1097-4172
PubMed: 32289252
DOI: 10.1016/J.CELL.2020.03.032