Potassium in PDB 3wgd: Crystal Structure of ERP46 TRX1

The structure of Crystal Structure of ERP46 TRX1, PDB code: 3wgd was solved by K.Inaba, M.Suzuki, R.Kojima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.77 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.440, 94.680, 142.020, 90.00, 90.85, 90.00
R / Rfree (%)	18.8 / 23.5

The binding sites of Potassium atom in the Crystal Structure of ERP46 TRX1 (pdb code 3wgd). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Crystal Structure of ERP46 TRX1, PDB code: 3wgd:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in the Crystal Structure of ERP46 TRX1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of ERP46 TRX1 within 5.0Å range: probe atom residue distance (Å) B Occ C:K204 b:63.8 occ:1.00 O C:LEU65 2.7 26.3 1.0 O C:HOH320 2.9 45.6 1.0 C C:HIS64 3.2 28.5 1.0 CD1 C:TYR66 3.3 25.5 1.0 CA C:HIS64 3.3 29.9 1.0 N C:LEU65 3.4 28.8 1.0 CE1 C:TYR66 3.4 31.9 1.0 C C:LEU65 3.5 25.8 1.0 O C:HIS64 3.8 25.7 1.0 CE C:MET70 4.0 21.4 1.0 CA C:LEU65 4.0 28.1 1.0 N C:HIS64 4.2 32.4 1.0 N C:TYR66 4.4 25.7 1.0 CB C:HIS64 4.5 27.0 1.0 CG C:TYR66 4.7 25.9 1.0 O C:HOH325 4.7 48.2 1.0 CZ C:TYR66 4.7 31.5 1.0 CA C:TYR66 4.7 25.9 1.0 O C:HOH329 4.9 28.1 1.0

Potassium binding site 2 out of 5 in the Crystal Structure of ERP46 TRX1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of ERP46 TRX1 within 5.0Å range: probe atom residue distance (Å) B Occ C:K205 b:67.4 occ:1.00 O C:HOH307 3.5 42.3 1.0 NE2 C:GLN146 3.5 59.2 1.0 N C:GLU147 3.8 55.8 1.0 CB C:GLN146 3.9 53.1 1.0 CA C:GLN146 4.1 55.0 1.0 CG C:GLN146 4.3 55.7 1.0 CD C:GLN146 4.4 56.5 1.0 C C:GLN146 4.5 54.0 1.0 CB C:GLU147 4.6 61.9 1.0 CA C:GLU147 4.8 55.6 1.0

Potassium binding site 3 out of 5 in the Crystal Structure of ERP46 TRX1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of ERP46 TRX1 within 5.0Å range: probe atom residue distance (Å) B Occ E:K203 b:64.8 occ:1.00 OG1 E:THR67 2.8 32.5 1.0 OH B:TYR136 2.9 36.4 1.0 O B:HOH317 3.1 28.8 1.0 CG E:MET70 3.4 30.4 1.0 CG2 E:THR67 3.5 32.3 1.0 CB B:CYS128 3.5 28.8 1.0 CB E:THR67 3.6 31.4 1.0 CB B:VAL133 3.9 29.4 1.0 SD E:MET70 4.0 29.2 1.0 CZ B:TYR136 4.1 36.0 1.0 C B:CYS128 4.2 32.4 1.0 CB E:ASP69 4.2 32.2 1.0 O B:CYS128 4.2 33.1 1.0 O B:VAL133 4.3 39.2 1.0 CG1 B:VAL133 4.3 28.2 1.0 N E:MET70 4.3 32.2 1.0 OD2 E:ASP69 4.3 36.0 1.0 CE1 B:TYR136 4.4 34.0 1.0 N B:SER129 4.5 33.7 1.0 CA B:CYS128 4.5 29.7 1.0 CB E:MET70 4.5 30.8 1.0 SG B:CYS121 4.6 33.9 1.0 CG2 B:VAL133 4.7 27.1 1.0 CG E:ASP69 4.7 34.5 1.0 SG B:CYS128 4.7 36.2 1.0 CA E:MET70 4.8 32.3 1.0 C E:ASP69 4.8 33.1 1.0 CA B:VAL133 4.9 32.3 1.0 C B:VAL133 4.9 37.8 1.0 CA B:SER129 4.9 36.8 1.0 CB B:CYS121 4.9 30.3 1.0 CA E:THR67 4.9 30.9 1.0 O4 E:PO4201 5.0 65.1 1.0 CA E:ASP69 5.0 31.8 1.0

Potassium binding site 4 out of 5 in the Crystal Structure of ERP46 TRX1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of ERP46 TRX1 within 5.0Å range: probe atom residue distance (Å) B Occ F:K202 b:57.2 occ:1.00 O A:HOH314 2.8 27.2 1.0 OH F:TYR66 2.9 26.7 1.0 O F:HOH327 3.0 32.5 1.0 CG2 A:THR122 3.6 26.2 1.0 ND2 F:ASN107 3.6 27.9 1.0 CB A:THR122 3.6 30.7 1.0 CD2 F:TYR115 3.6 27.8 1.0 CG F:ASN107 3.7 30.8 1.0 CE1 F:TYR66 3.7 23.6 1.0 CZ F:TYR66 3.7 25.0 1.0 CB F:ASN107 4.0 34.8 1.0 OD1 F:ASN107 4.1 29.4 1.0 OG1 A:THR122 4.2 25.7 1.0 CB F:TYR115 4.3 27.9 1.0 CG F:TYR115 4.4 27.7 1.0 O A:HOH301 4.4 27.7 1.0 CE2 F:TYR115 4.5 28.9 1.0 O F:VAL116 4.6 36.1 1.0 NE1 A:TRP88 4.7 33.1 1.0 CD1 A:TRP88 4.8 35.2 1.0 CA A:THR122 4.9 28.9 1.0 CA F:ASN107 4.9 41.8 1.0

Potassium binding site 5 out of 5 in the Crystal Structure of ERP46 TRX1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of ERP46 TRX1 within 5.0Å range: probe atom residue distance (Å) B Occ I:K204 b:73.0 occ:1.00 NE2 I:HIS73 3.0 31.0 1.0 OD1 I:ASP69 3.1 35.3 1.0 CE1 I:HIS73 3.8 29.8 1.0 CD2 I:HIS73 4.0 31.8 1.0 CG I:ASP69 4.1 34.8 1.0 OD2 I:ASP69 4.4 34.9 1.0 ND1 I:HIS73 5.0 31.0 1.0

R.Kojima, M.Okumura, S.Masui, S.Kanemura, M.Inoue, M.Saiki, H.Yamaguchi, T.Hikima, M.Suzuki, S.Akiyama, K.Inaba. Radically Different Thioredoxin Domain Arrangement of ERP46, An Efficient Disulfide Bond Introducer of the Mammalian Pdi Family Structure V. 22 431 2014.
ISSN: ISSN 0969-2126
PubMed: 24462249
DOI: 10.1016/J.STR.2013.12.013