Magnesium in PDB 6uko: Structure Analysis of Full-Length Mouse BCS1 Complex

The structure of Structure Analysis of Full-Length Mouse BCS1 Complex, PDB code: 6uko was solved by D.Xia, L.Esser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.91 / 4.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	254.055, 161.127, 132.595, 90.00, 107.27, 90.00
R / Rfree (%)	35.7 / 40.7

The binding sites of Magnesium atom in the Structure Analysis of Full-Length Mouse BCS1 Complex (pdb code 6uko). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Structure Analysis of Full-Length Mouse BCS1 Complex, PDB code: 6uko:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in the Structure Analysis of Full-Length Mouse BCS1 Complex


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure Analysis of Full-Length Mouse BCS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1801 b:0.5 occ:1.00 HD21 A:ASN1332 2.5 0.9 1.0 O3B A:ADP1800 2.5 0.9 1.0 O1B A:ADP1800 2.9 0.5 1.0 PB A:ADP1800 3.2 0.3 1.0 HG A:SER1237 3.2 0.2 1.0 ND2 A:ASN1332 3.2 0.7 1.0 OD1 A:ASN1332 3.2 0.8 1.0 OD1 A:ASP1283 3.4 0.5 1.0 OE1 A:GLU1282 3.6 1.0 1.0 CG A:ASN1332 3.6 0.3 1.0 OG A:SER1237 3.8 0.2 1.0 HE2 A:LYS1236 3.9 0.2 1.0 HD22 A:ASN1332 3.9 0.9 1.0 O2B A:ADP1800 4.1 0.1 1.0 CG A:ASP1283 4.4 0.7 1.0 HZ1 A:LYS1236 4.4 0.1 1.0 O3A A:ADP1800 4.5 0.3 1.0 HB2 A:SER1237 4.5 0.2 1.0 HB2 A:LYS1236 4.6 0.6 1.0 O2A A:ADP1800 4.6 0.4 1.0 H A:GLY1233 4.6 0.0 1.0 H A:SER1237 4.6 0.2 1.0 HZ3 A:LYS1236 4.6 0.1 1.0 CE A:LYS1236 4.7 0.5 1.0 OD2 A:ASP1283 4.7 0.1 1.0 CB A:SER1237 4.8 0.2 1.0 CD A:GLU1282 4.8 0.5 1.0 NZ A:LYS1236 4.8 0.1 1.0 HA A:PRO1232 4.8 0.7 1.0 HB A:THR1330 4.9 0.9 1.0 H A:ASP1283 4.9 0.1 1.0 HE3 A:LYS1236 4.9 0.2 1.0

Magnesium binding site 2 out of 7 in the Structure Analysis of Full-Length Mouse BCS1 Complex


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure Analysis of Full-Length Mouse BCS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1801 b:0.5 occ:1.00 O3B B:ADP1800 2.5 0.5 1.0 HD21 B:ASN1332 3.0 0.5 1.0 O1B B:ADP1800 3.0 0.9 1.0 PB B:ADP1800 3.3 0.1 1.0 OD1 B:ASP1283 3.3 0.1 1.0 HG B:SER1237 3.4 0.2 1.0 OE1 B:GLU1282 3.6 0.1 1.0 ND2 B:ASN1332 3.7 0.4 1.0 OD1 B:ASN1332 3.8 0.3 1.0 OG B:SER1237 3.9 0.2 1.0 CG B:ASN1332 4.2 0.6 1.0 O2B B:ADP1800 4.3 0.1 1.0 HE2 B:LYS1236 4.4 0.0 1.0 HD22 B:ASN1332 4.4 0.5 1.0 O2A B:ADP1800 4.4 0.1 1.0 CG B:ASP1283 4.5 0.1 1.0 HB2 B:SER1237 4.5 0.7 1.0 O3A B:ADP1800 4.5 0.8 1.0 H B:GLY1233 4.5 0.3 1.0 HZ1 B:LYS1236 4.7 0.1 1.0 H B:SER1237 4.8 0.1 1.0 H B:ASP1283 4.8 0.7 1.0 CD B:GLU1282 4.8 0.4 1.0 CB B:SER1237 4.8 0.7 1.0 OD2 B:ASP1283 4.9 0.4 1.0 HZ3 B:LYS1236 4.9 0.1 1.0 HB2 B:LYS1236 4.9 0.0 1.0 PA B:ADP1800 5.0 0.1 1.0

Magnesium binding site 3 out of 7 in the Structure Analysis of Full-Length Mouse BCS1 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure Analysis of Full-Length Mouse BCS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1801 b:0.3 occ:1.00 O3B C:ADP1800 2.5 0.1 1.0 HD21 C:ASN1332 2.6 0.7 1.0 ND2 C:ASN1332 3.3 0.1 1.0 PB C:ADP1800 3.4 0.9 1.0 O1B C:ADP1800 3.4 0.6 1.0 OD1 C:ASN1332 3.5 0.6 1.0 OE1 C:GLU1282 3.5 0.2 1.0 HE2 C:LYS1236 3.6 0.8 1.0 OD1 C:ASP1283 3.6 0.5 1.0 CG C:ASN1332 3.8 0.3 1.0 HZ1 C:LYS1236 3.9 0.1 1.0 HD22 C:ASN1332 4.0 0.7 1.0 O2B C:ADP1800 4.1 1.0 1.0 HZ3 C:LYS1236 4.1 0.1 1.0 NZ C:LYS1236 4.3 0.8 1.0 CE C:LYS1236 4.3 0.4 1.0 HA C:PRO1232 4.4 0.4 1.0 H C:GLY1233 4.4 0.5 1.0 HE3 C:LYS1236 4.5 0.8 1.0 OG C:SER1237 4.6 0.7 1.0 HB2 C:LYS1236 4.6 0.2 1.0 CG C:ASP1283 4.6 0.9 1.0 CD C:GLU1282 4.7 0.4 1.0 O3A C:ADP1800 4.8 0.6 1.0 HB3 C:PRO1232 4.8 0.7 1.0 OD2 C:ASP1283 4.8 0.3 1.0 HB C:THR1330 5.0 0.1 1.0 HG C:SER1237 5.0 0.3 1.0

Magnesium binding site 4 out of 7 in the Structure Analysis of Full-Length Mouse BCS1 Complex


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure Analysis of Full-Length Mouse BCS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1801 b:0.3 occ:1.00 HD21 D:ASN1332 2.4 0.8 1.0 O3B D:ADP1800 2.5 0.8 1.0 O1B D:ADP1800 2.9 0.0 1.0 OD1 D:ASP1283 3.1 0.1 1.0 PB D:ADP1800 3.2 0.4 1.0 ND2 D:ASN1332 3.2 0.0 1.0 OE1 D:GLU1282 3.3 0.5 1.0 HG D:SER1237 3.5 0.1 1.0 OD1 D:ASN1332 3.5 0.3 1.0 CG D:ASN1332 3.7 0.1 1.0 HD22 D:ASN1332 3.8 0.8 1.0 OG D:SER1237 4.0 0.9 1.0 CG D:ASP1283 4.2 0.9 1.0 O2B D:ADP1800 4.2 0.5 1.0 O2A D:ADP1800 4.3 0.9 1.0 HB2 D:SER1237 4.4 0.3 1.0 O3A D:ADP1800 4.4 0.5 1.0 H D:GLY1233 4.4 0.5 1.0 OD2 D:ASP1283 4.5 0.3 1.0 H D:ASP1283 4.5 0.5 1.0 CD D:GLU1282 4.6 0.6 1.0 HE2 D:LYS1236 4.6 0.0 1.0 CB D:SER1237 4.8 0.3 1.0 H D:SER1237 4.8 1.0 1.0 HZ3 D:LYS1236 4.8 0.6 1.0 PA D:ADP1800 4.8 0.5 1.0 HB3 D:GLU1282 4.9 0.6 1.0 HA D:GLU1282 5.0 0.1 1.0

Magnesium binding site 5 out of 7 in the Structure Analysis of Full-Length Mouse BCS1 Complex


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Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure Analysis of Full-Length Mouse BCS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1801 b:0.9 occ:1.00 O3B E:ADP1800 2.6 0.1 1.0 O2B E:ADP1800 2.9 0.7 1.0 HG E:SER1237 3.0 0.8 1.0 HD21 E:ASN1332 3.1 0.3 1.0 PB E:ADP1800 3.2 0.2 1.0 OD1 E:ASP1283 3.5 0.0 1.0 OG E:SER1237 3.6 0.8 1.0 OE1 E:GLU1282 3.8 0.4 1.0 ND2 E:ASN1332 3.8 0.4 1.0 HE2 E:LYS1236 4.0 0.1 1.0 OD1 E:ASN1332 4.0 0.6 1.0 O1B E:ADP1800 4.1 0.9 1.0 HB2 E:SER1237 4.3 0.6 1.0 CG E:ASN1332 4.3 0.9 1.0 HD22 E:ASN1332 4.4 0.3 1.0 CG E:ASP1283 4.4 0.5 1.0 H E:SER1237 4.4 0.4 1.0 HB2 E:LYS1236 4.5 0.2 1.0 CB E:SER1237 4.5 0.7 1.0 OD2 E:ASP1283 4.6 0.0 1.0 O3A E:ADP1800 4.6 0.6 1.0 HZ1 E:LYS1236 4.6 0.5 1.0 HZ3 E:LYS1236 4.6 0.5 1.0 H E:GLY1233 4.7 0.8 1.0 O2A E:ADP1800 4.7 0.6 1.0 HG1 E:THR1330 4.7 0.6 1.0 HB E:THR1330 4.8 0.4 1.0 CE E:LYS1236 4.8 0.5 1.0 NZ E:LYS1236 4.9 0.7 1.0 CD E:GLU1282 5.0 0.5 1.0

Magnesium binding site 6 out of 7 in the Structure Analysis of Full-Length Mouse BCS1 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure Analysis of Full-Length Mouse BCS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg1801 b:0.8 occ:1.00 O3B F:ADP1800 2.5 0.4 1.0 O2B F:ADP1800 2.5 0.1 1.0 HG F:SER1237 2.8 0.5 1.0 PB F:ADP1800 3.0 0.5 1.0 OD1 F:ASP1283 3.1 0.2 1.0 OG F:SER1237 3.3 0.9 1.0 HD21 F:ASN1332 3.5 0.1 1.0 OE1 F:GLU1282 3.6 0.5 1.0 HB2 F:SER1237 3.9 0.8 1.0 OD1 F:ASN1332 4.0 0.7 1.0 O1B F:ADP1800 4.0 0.9 1.0 CG F:ASP1283 4.1 0.4 1.0 HE2 F:LYS1236 4.1 0.7 1.0 ND2 F:ASN1332 4.2 0.9 1.0 H F:SER1237 4.2 0.3 1.0 CB F:SER1237 4.2 0.0 1.0 O2A F:ADP1800 4.2 0.8 1.0 O3A F:ADP1800 4.3 0.7 1.0 OD2 F:ASP1283 4.4 0.8 1.0 HB2 F:LYS1236 4.5 0.7 1.0 CG F:ASN1332 4.5 0.9 1.0 H F:GLY1233 4.6 0.4 1.0 HZ1 F:LYS1236 4.6 0.5 1.0 HZ3 F:LYS1236 4.7 0.5 1.0 PA F:ADP1800 4.7 1.0 1.0 H F:ASP1283 4.7 0.2 1.0 HB F:THR1330 4.7 0.2 1.0 HB3 F:SER1237 4.8 0.8 1.0 CD F:GLU1282 4.8 0.7 1.0 O1A F:ADP1800 4.8 0.1 1.0 HD22 F:ASN1332 4.9 0.1 1.0 N F:SER1237 4.9 0.1 1.0 CE F:LYS1236 4.9 0.1 1.0 NZ F:LYS1236 4.9 0.7 1.0

Magnesium binding site 7 out of 7 in the Structure Analysis of Full-Length Mouse BCS1 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structure Analysis of Full-Length Mouse BCS1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg1801 b:0.8 occ:1.00 O3B G:ADP1800 2.5 0.9 1.0 O1B G:ADP1800 2.9 0.7 1.0 PB G:ADP1800 3.2 0.9 1.0 HD21 G:ASN1332 3.3 0.9 1.0 OD1 G:ASP1283 3.3 0.8 1.0 OE1 G:GLU1282 3.7 0.1 1.0 OG G:SER1237 3.7 0.8 1.0 HE2 G:LYS1236 4.1 0.8 1.0 ND2 G:ASN1332 4.1 0.6 1.0 O2B G:ADP1800 4.2 0.8 1.0 HG G:SER1237 4.2 0.6 1.0 CG G:ASP1283 4.4 0.7 1.0 O2A G:ADP1800 4.5 0.6 1.0 O3A G:ADP1800 4.5 0.5 1.0 HB2 G:SER1237 4.5 0.3 1.0 HZ3 G:LYS1236 4.5 0.2 1.0 OD1 G:ASN1332 4.5 0.1 1.0 H G:SER1237 4.6 0.5 1.0 HZ1 G:LYS1236 4.6 0.2 1.0 H G:GLY1233 4.6 0.7 1.0 HB2 G:LYS1236 4.6 0.2 1.0 HD22 G:ASN1332 4.7 0.9 1.0 OD2 G:ASP1283 4.7 0.5 1.0 CB G:SER1237 4.8 0.4 1.0 CG G:ASN1332 4.8 0.7 1.0 NZ G:LYS1236 4.9 0.8 1.0 CD G:GLU1282 4.9 0.7 1.0 CE G:LYS1236 4.9 0.5 1.0 H G:ASP1283 5.0 0.9 1.0 PA G:ADP1800 5.0 0.1 1.0

W.K.Tang, M.J.Borgnia, A.L.Hsu, L.Esser, T.Fox, N.De Val, D.Xia. Structures of Aaa Protein Translocase BCS1 Suggest Translocation Mechanism of A Folded Protein Nat.Struct.Mol.Biol. 2020.
ISSN: ESSN 1545-9985
DOI: 10.1038/S41594-020-0373-0