Sodium in PDB 4feb: Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta)

The structure of Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta), PDB code: 4feb was solved by M.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	155.052, 177.278, 78.868, 90.00, 109.03, 90.00
R / Rfree (%)	22.9 / 27.5

The structure of Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta) also contains other interesting chemical elements:

Zinc

(Zn)

38 atoms

The binding sites of Sodium atom in the Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta) (pdb code 4feb). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 6 binding sites of Sodium where determined in the Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta), PDB code: 4feb:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6;

Sodium binding site 1 out of 6 in the Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na509 b:60.0 occ:1.00 OE1 A:GLU172 3.1 0.7 1.0 O A:HOH610 3.1 31.2 1.0 CD A:GLU172 3.9 0.7 1.0 OE2 A:GLU172 4.4 0.8 1.0 CG A:GLU172 4.8 0.2 1.0

Sodium binding site 2 out of 6 in the Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na510 b:60.0 occ:1.00 OG A:SER114 2.7 75.0 1.0 O A:ALA112 3.1 72.8 1.0 OG1 A:THR320 3.2 81.2 1.0 CB A:SER114 3.4 75.7 1.0 N A:SER114 3.7 72.7 1.0 CD A:PRO229 3.8 82.3 1.0 CZ2 A:TRP232 3.8 88.2 1.0 CG A:PRO229 3.8 83.5 1.0 N A:PRO229 3.9 84.1 1.0 CG2 A:THR320 3.9 77.1 1.0 O A:ASN227 4.0 77.9 1.0 CB A:THR320 4.0 78.6 1.0 CA A:GLY228 4.1 80.2 1.0 C A:LEU113 4.1 71.3 1.0 C A:GLY228 4.1 83.4 1.0 CA A:SER114 4.1 73.8 1.0 CA A:THR320 4.2 78.6 1.0 C A:ALA112 4.2 71.4 1.0 NE1 A:TRP232 4.4 89.4 1.0 CE2 A:TRP232 4.4 90.1 1.0 CG1 A:VAL244 4.5 86.6 1.0 CA A:LEU113 4.5 70.6 1.0 CA A:PRO229 4.6 87.5 1.0 CB A:PRO229 4.7 87.2 1.0 CH2 A:TRP232 4.7 90.1 1.0 N A:THR320 4.8 80.7 1.0 O A:LEU113 4.8 70.9 1.0 N A:LEU113 4.8 70.3 1.0 O A:ARG316 4.9 86.5 1.0 O A:GLY228 4.9 85.7 1.0 C A:ASN227 4.9 78.7 1.0

Sodium binding site 3 out of 6 in the Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na511 b:60.0 occ:1.00 OD2 A:ASP209 2.6 0.1 1.0 O C:GLN402 2.8 60.0 0.5 CG A:ASP209 3.6 0.1 1.0 C C:GLN402 3.9 60.0 0.5 OD1 A:ASP209 3.9 0.3 1.0 OG A:SER211 4.0 0.9 1.0 CD1 A:ILE212 4.4 0.9 1.0 CG1 A:ILE212 4.6 0.4 1.0 CB A:ASP209 4.8 0.5 1.0

Sodium binding site 4 out of 6 in the Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na512 b:60.0 occ:1.00 O A:HOH630 2.7 14.8 1.0 OE2 A:GLU309 2.7 0.7 1.0 O A:HOH619 3.1 35.3 1.0 CD A:GLU309 3.8 0.9 1.0 OE1 A:GLU309 4.2 0.7 1.0 CD A:LYS305 4.5 95.3 1.0 CB A:LYS305 4.6 93.7 1.0 CG A:LYS305 4.9 91.3 1.0

Sodium binding site 5 out of 6 in the Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na513 b:60.0 occ:1.00 OE2 A:GLU38 2.9 1.0 1.0 CD A:GLU38 3.8 0.3 1.0 OE1 A:GLU38 4.0 0.8 1.0 NE1 A:TRP10 4.0 94.4 1.0 CG2 A:VAL8 4.1 96.5 1.0 CZ2 A:TRP10 4.6 0.7 1.0 CE2 A:TRP10 4.7 96.2 1.0

Sodium binding site 6 out of 6 in the Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Crystal Structure of HTT36Q3H-EX1-X1-C2(Beta) within 5.0Å range: probe atom residue distance (Å) B Occ C:Na512 b:60.0 occ:1.00 OE2 C:GLU274 2.9 99.4 1.0 CD C:GLU274 3.7 97.7 1.0 O C:GLU274 3.8 89.3 1.0 CD C:LYS277 3.8 89.7 1.0 CG C:GLU274 3.8 96.2 1.0 NZ C:LYS277 4.2 95.6 1.0 CE C:LYS277 4.2 92.1 1.0 CG C:LYS277 4.3 87.3 1.0 CB C:LYS277 4.3 85.8 1.0 CA C:GLU274 4.5 89.9 1.0 C C:GLU274 4.5 89.0 1.0 CB C:GLU274 4.7 92.8 1.0 N C:GLU278 4.7 87.7 1.0 OE1 C:GLU274 4.7 97.3 1.0

M.Kim, M.Kim. N/A N/A.
PubMed: 23370273
DOI: 10.4161/PRI.23807