Calcium in PDB 7s6f: Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium

The structure of Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium, PDB code: 7s6f was solved by B.S.Shah, H.Mikolajek, C.M.Orr, V.Mykhaylyk, R.J.Owens, I.T.Paulsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.49 / 1.80
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	47.51, 71.39, 120.46, 90, 90, 90
R / Rfree (%)	15.9 / 19

The binding sites of Calcium atom in the Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium (pdb code 7s6f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium, PDB code: 7s6f:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium


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 URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:37.2 occ:1.00 O A:HOH756 2.2 61.4 1.0 OD1 A:ASP324 2.3 34.6 1.0 OD1 A:ASP325 2.4 38.4 1.0 O A:ASN111 2.4 34.9 1.0 O A:HOH719 2.4 36.0 1.0 O A:HOH648 2.5 40.9 1.0 OD2 A:ASP324 2.9 32.8 1.0 CG A:ASP324 3.0 31.2 1.0 HA A:ALA112 3.3 35.2 1.0 HH21 A:ARG328 3.4 33.0 1.0 CG A:ASP325 3.5 40.5 1.0 C A:ASN111 3.6 35.1 1.0 H A:ASP325 3.9 33.5 1.0 OD2 A:ASP325 4.0 35.9 1.0 HB3 A:ASN111 4.0 37.1 1.0 CA A:ALA112 4.2 33.4 1.0 NH2 A:ARG328 4.2 33.1 1.0 N A:ASP325 4.3 32.9 1.0 N A:ALA112 4.3 35.7 1.0 OD1 A:ASP323 4.3 40.1 1.0 HH22 A:ARG328 4.4 33.0 1.0 O A:LYS110 4.4 37.8 1.0 HD22 A:ASN111 4.4 41.7 1.0 CB A:ASP324 4.4 34.3 1.0 ND2 A:ASN111 4.5 42.7 1.0 O2 A:EDO503 4.5 41.5 1.0 CG A:ASN111 4.6 39.5 1.0 CB A:ASN111 4.6 36.6 1.0 CB A:ASP325 4.7 40.4 1.0 H A:ASP324 4.7 32.9 1.0 CA A:ASN111 4.7 36.0 1.0 H21 A:EDO503 4.7 36.7 1.0 HA A:ASP325 4.8 36.7 1.0 HD21 A:ASN111 4.8 41.7 1.0 HB3 A:ASP324 4.8 33.7 1.0 CA A:ASP325 4.9 36.6 1.0 C A:ASP324 4.9 31.8 1.0 HB2 A:ASP325 5.0 39.5 1.0 HE A:ARG328 5.0 30.7 1.0 HB2 A:ALA112 5.0 36.8 1.0 HB2 A:ASP324 5.0 33.7 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium


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 URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca505 b:30.1 occ:1.00 O A:HOH704 2.4 33.5 1.0 O A:LEU24 2.4 30.5 1.0 C A:LEU24 3.6 29.4 1.0 HB3 A:LEU24 3.8 31.2 1.0 HG21 A:THR25 3.9 29.1 1.0 HA A:THR25 3.9 27.8 1.0 HB1 A:ALA29 4.0 27.1 1.0 HG A:SER33 4.1 42.9 0.0 HG23 A:THR25 4.3 29.1 1.0 HA A:LEU24 4.3 29.7 1.0 CA A:LEU24 4.4 29.5 1.0 CG2 A:THR25 4.5 29.9 1.0 N A:THR25 4.5 27.4 1.0 CB A:LEU24 4.6 30.2 1.0 OG A:SER33 4.7 43.0 1.0 HB2 A:ALA29 4.7 27.1 1.0 CA A:THR25 4.7 28.1 1.0 CB A:ALA29 4.7 27.4 1.0 O A:HOH832 4.8 47.8 1.0 HB3 A:ALA29 4.8 27.1 1.0 HB2 A:LEU24 5.0 31.2 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium


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 URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca506 b:42.0 occ:1.00 HD22 A:ASN348 2.6 32.3 1.0 O A:HOH825 2.6 54.3 1.0 H A:ALA380 2.6 33.4 1.0 H A:CYS393 2.7 36.6 1.0 HA A:ALA392 2.9 39.8 1.0 H A:TRP381 3.0 33.3 1.0 HB3 A:ALA380 3.1 36.3 1.0 O A:HOH802 3.2 56.5 1.0 N A:ALA380 3.3 34.5 1.0 HA A:GLN379 3.4 31.1 1.0 ND2 A:ASN348 3.5 32.8 1.0 HB1 A:ALA392 3.5 41.2 1.0 N A:CYS393 3.5 36.4 1.0 HD1 A:TRP381 3.5 30.3 1.0 HB3 A:CYS393 3.6 33.2 1.0 CA A:ALA392 3.7 40.0 1.0 CB A:ALA380 3.8 37.8 1.0 HB3 A:ASN348 3.8 31.6 1.0 N A:TRP381 3.9 33.2 1.0 HD21 A:ASN348 3.9 32.3 1.0 HB2 A:ALA380 3.9 36.3 1.0 CB A:ALA392 4.0 41.8 1.0 CA A:ALA380 4.0 33.1 1.0 C A:ALA392 4.1 40.7 1.0 HB2 A:ALA392 4.1 41.3 1.0 HB2 A:ASN348 4.2 31.6 1.0 HB2 A:TRP381 4.2 31.2 1.0 C A:GLN379 4.2 31.1 1.0 CA A:GLN379 4.2 31.4 1.0 CD1 A:TRP381 4.3 29.6 1.0 CB A:CYS393 4.3 33.9 1.0 CB A:ASN348 4.3 32.2 1.0 CG A:ASN348 4.4 31.2 1.0 HB2 A:CYS393 4.4 33.2 1.0 O A:CYS393 4.4 33.4 1.0 CA A:CYS393 4.5 33.5 1.0 O A:PRO378 4.5 27.9 1.0 C A:ALA380 4.5 35.2 1.0 HB1 A:ALA380 4.6 36.3 1.0 O A:PHE391 4.8 32.8 1.0 CB A:TRP381 4.8 32.1 1.0 HB3 A:GLN379 4.8 33.4 1.0 HB3 A:ALA392 4.9 41.3 1.0 CA A:TRP381 4.9 31.7 1.0 O A:TRP381 4.9 35.6 1.0 HG2 A:GLN379 4.9 34.9 1.0 CG A:TRP381 4.9 28.6 1.0 HA A:ALA380 4.9 34.6 1.0 N A:ALA392 4.9 36.9 1.0 C A:CYS393 5.0 35.4 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium


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 URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca507 b:81.7 occ:0.50 OD1 A:ASP240 3.2 57.4 1.0 OD2 A:ASP240 3.3 64.6 1.0 CG A:ASP240 3.6 51.1 1.0 O A:HOH706 4.6 38.1 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium


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 URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca508 b:43.9 occ:1.00 O A:THR132 2.3 30.5 1.0 OE1 A:GLN353 2.4 30.9 1.0 OG A:SER304 2.4 28.0 1.0 O A:HOH684 2.4 29.7 1.0 O A:HOH621 2.4 31.0 1.0 HG A:SER304 2.5 27.9 0.0 O A:HOH779 2.6 31.3 1.0 HE21 A:GLN353 3.1 33.9 1.0 HA2 A:GLY133 3.1 28.7 1.0 CD A:GLN353 3.3 33.0 1.0 C A:THR132 3.4 27.4 1.0 CB A:SER304 3.5 27.7 1.0 HB3 A:SER304 3.5 27.8 1.0 HA A:SER304 3.5 27.7 1.0 NE2 A:GLN353 3.5 34.3 1.0 HE21 A:GLN340 3.6 30.7 1.0 HB2 A:ASN271 3.7 27.3 1.0 HB A:THR132 3.8 28.2 1.0 OD1 A:ASP300 3.9 32.0 1.0 CA A:GLY133 3.9 28.4 1.0 CA A:SER304 4.0 28.0 1.0 HD23 A:LEU351 4.0 29.4 1.0 HE22 A:GLN340 4.1 30.7 1.0 H A:ALA134 4.1 29.0 1.0 N A:GLY133 4.1 27.5 1.0 OD1 A:ASN271 4.1 29.4 1.0 OE2 A:GLU303 4.2 31.7 1.0 OD2 A:ASP300 4.2 29.7 1.0 NE2 A:GLN340 4.2 31.2 1.0 HB2 A:SER304 4.3 27.8 1.0 CG A:ASP300 4.4 31.1 1.0 HE22 A:GLN353 4.4 33.9 1.0 C A:GLY133 4.4 30.6 1.0 N A:ALA134 4.4 28.5 1.0 H A:SER304 4.5 27.7 1.0 CA A:THR132 4.5 27.9 1.0 N A:SER304 4.5 27.4 1.0 CB A:THR132 4.5 27.9 1.0 CB A:ASN271 4.6 27.1 1.0 CG A:GLN353 4.7 35.6 1.0 HA3 A:GLY133 4.7 28.7 1.0 HA A:THR132 4.7 27.3 1.0 O A:ASP300 4.7 22.6 1.0 CG A:ASN271 4.7 28.7 1.0 HD21 A:LEU351 4.7 29.4 1.0 HD22 A:ASN307 4.7 27.9 1.0 HG2 A:GLN353 4.7 34.7 1.0 O A:HOH776 4.8 28.6 1.0 CD2 A:LEU351 4.8 29.0 1.0 O A:PRO117 4.8 26.2 1.0 HB3 A:ASN271 4.8 27.4 1.0 OG1 A:THR132 4.9 30.0 1.0 H A:GLY133 5.0 27.7 1.0

B.S.Shah, H.Mikolajek, C.M.Orr, V.Mykhaylyk, R.Owens, I.T.Paulsen. Crystal Structure of URTA1 From Synechococcus WH8102 in Complex with Urea and Calcium To Be Published.