Sodium in PDB 8puj: The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin.

The structure of The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin., PDB code: 8puj was solved by J.Whittaker, J.M.Martinez-Felices, A.Guskov, D.J.Slotboom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.02 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.993, 151.985, 45.618, 90, 90, 90
R / Rfree (%)	17.2 / 20.2

The structure of The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin. also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Sodium atom in the The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin. (pdb code 8puj). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin., PDB code: 8puj:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin. within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:37.4 occ:1.00 O A:HOH709 2.3 30.1 1.0 OH A:TYR227 2.6 18.5 1.0 O A:HOH753 3.3 48.5 1.0 CE2 A:TYR227 3.4 11.9 1.0 CZ A:TYR227 3.4 19.7 1.0 NE2 A:GLN239 3.7 24.5 1.0 OE1 A:GLN239 3.8 20.3 1.0 CD A:GLN239 3.9 21.4 1.0 O A:HOH538 4.0 19.5 1.0 N A:GLY192 4.1 10.3 1.0 C A:VAL191 4.4 9.5 1.0 O A:HOH724 4.5 41.6 1.0 CA A:VAL191 4.5 10.8 1.0 CE1 A:TYR227 4.7 15.4 1.0 CA A:GLY192 4.8 15.2 1.0 CD2 A:TYR227 4.8 14.5 1.0 O A:HOH721 4.9 36.5 1.0

Sodium binding site 2 out of 4 in the The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin. within 5.0Å range: probe atom residue distance (Å) B Occ A:Na404 b:23.6 occ:1.00 OH A:TYR303 2.6 14.0 1.0 O A:HOH620 2.7 19.3 1.0 OD2 A:ASP301 2.8 15.3 1.0 CE1 A:TYR303 3.4 11.8 1.0 CZ A:TYR303 3.4 15.0 1.0 CB A:ASP301 3.5 16.0 1.0 OD1 A:ASN299 3.6 17.4 1.0 CG A:ASP301 3.6 16.7 1.0 CB A:SER296 3.7 14.0 1.0 CB A:PRO45 3.7 18.0 1.0 NH2 A:ARG318 3.7 18.0 1.0 NE A:ARG318 3.8 17.7 1.0 CG A:PRO45 3.9 19.2 1.0 CH2 A:TRP340 3.9 18.2 1.0 CZ A:ARG318 3.9 16.9 1.0 ND2 A:ASN299 3.9 22.8 1.0 OG A:SER296 4.0 16.3 1.0 CG A:ASN299 4.1 21.2 1.0 CZ3 A:TRP340 4.5 17.2 1.0 CE2 A:TYR303 4.7 14.4 1.0 OD1 A:ASP301 4.7 18.2 1.0 CD1 A:TYR303 4.7 11.7 1.0 CD A:ARG318 4.7 17.4 1.0 NH1 A:ARG318 4.8 16.7 1.0 CZ2 A:TRP340 4.9 18.6 1.0 CA A:ASP301 4.9 13.5 1.0 O A:HOH682 4.9 44.2 1.0 O A:GLY22 5.0 22.7 1.0 CA A:SER296 5.0 15.1 1.0

Sodium binding site 3 out of 4 in the The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin. within 5.0Å range: probe atom residue distance (Å) B Occ C:Na401 b:24.9 occ:1.00 O A:HOH720 2.7 30.1 1.0 OH C:TYR160 2.8 12.2 1.0 CE2 C:TYR160 3.3 12.2 1.0 CG C:GLU232 3.4 20.8 1.0 CE2 A:TYR163 3.4 14.4 1.0 CZ C:TYR160 3.5 12.8 1.0 OE2 C:GLU232 3.5 31.9 1.0 CD C:GLU232 3.5 29.6 1.0 CD2 A:TYR163 3.5 11.6 1.0 CE2 A:TYR160 3.6 10.9 1.0 CD2 A:TYR160 3.8 11.2 1.0 O A:HOH587 4.0 20.6 1.0 CB C:GLU232 4.2 13.9 1.0 OE1 C:GLU232 4.3 30.9 1.0 O A:GLU232 4.6 18.5 1.0 O A:TYR160 4.7 10.5 1.0 CD2 C:TYR160 4.7 10.6 1.0 CZ A:TYR163 4.7 15.2 1.0 CE1 C:TYR160 4.9 11.3 1.0 CA C:GLU232 4.9 13.7 1.0 CG A:TYR163 4.9 11.0 1.0 CZ A:TYR160 4.9 14.7 1.0

Sodium binding site 4 out of 4 in the The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of The Surface-Exposed Lipo-Protein of BTUG2 in Complex with Cyanocobalamin. within 5.0Å range: probe atom residue distance (Å) B Occ C:Na402 b:44.2 occ:1.00 N C:ARG286 2.6 32.5 1.0 O C:THR288 2.7 33.4 1.0 N C:THR288 2.9 48.6 1.0 OH C:TYR290 3.1 32.6 1.0 N C:ASP287 3.3 54.0 1.0 CA C:TYR285 3.3 31.4 1.0 CZ C:TYR290 3.4 26.5 1.0 C C:THR288 3.5 49.5 1.0 C C:TYR285 3.5 34.1 1.0 CA C:THR288 3.5 51.2 1.0 CA C:ARG286 3.6 46.7 1.0 C C:ARG286 3.7 50.6 1.0 CD1 C:TYR285 3.7 40.0 1.0 O C:LYS284 3.7 35.0 1.0 CB C:THR288 3.7 46.0 1.0 CE2 C:TYR290 3.8 27.5 1.0 C C:ASP287 4.0 59.3 1.0 CG C:TYR285 4.0 39.8 1.0 CE1 C:TYR290 4.1 28.5 1.0 CB C:TYR285 4.2 30.8 1.0 CB C:ARG286 4.2 53.3 1.0 CA C:ASP287 4.3 63.3 1.0 CE1 C:TYR285 4.3 43.4 1.0 N C:TYR285 4.3 29.1 1.0 C C:LYS284 4.4 32.8 1.0 OG1 C:THR288 4.5 53.7 1.0 O C:ARG286 4.5 49.8 1.0 CD2 C:TYR290 4.6 23.8 1.0 O C:TYR285 4.7 31.7 1.0 N C:LYS289 4.7 62.9 1.0 CG2 C:THR288 4.9 42.4 1.0 CD1 C:TYR290 4.9 27.3 1.0 CD2 C:TYR285 5.0 39.7 1.0 O C:HOH618 5.0 30.0 1.0

J.Whittaker, A.Guskov. The Surface-Exposed Lipo-Protein of BTUG3 in Complex with Cyanocobinamide. To Be Published.