Magnesium in PDB 6u1y: BCS1 Aaa Domain

The structure of BCS1 Aaa Domain, PDB code: 6u1y was solved by W.K.Tang, D.Xia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.46 / 2.17
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.206, 207.253, 116.615, 90.00, 95.98, 90.00
R / Rfree (%)	18.1 / 23.5

The binding sites of Magnesium atom in the BCS1 Aaa Domain (pdb code 6u1y). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the BCS1 Aaa Domain, PDB code: 6u1y:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in the BCS1 Aaa Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of BCS1 Aaa Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:23.6 occ:1.00 HG A:SER237 1.9 28.0 0.0 O G:HOH912 2.1 31.2 1.0 O A:HOH975 2.1 28.3 1.0 O1G A:ANP800 2.1 28.9 1.0 OG A:SER237 2.1 28.2 1.0 O1B A:ANP800 2.2 27.5 1.0 O A:HOH922 2.3 22.8 1.0 HB2 A:SER237 3.1 27.9 1.0 CB A:SER237 3.2 27.7 1.0 PG A:ANP800 3.2 28.3 1.0 H A:SER237 3.4 27.0 1.0 PB A:ANP800 3.4 27.7 1.0 N3B A:ANP800 3.5 28.5 1.0 HH12 G:ARG346 3.5 25.7 1.0 HB3 A:SER237 3.8 27.8 1.0 HH21 G:ARG343 3.8 29.1 1.0 OE1 A:GLU282 3.9 33.2 1.0 OE2 A:GLU282 4.0 28.8 1.0 O3G A:ANP800 4.0 27.1 1.0 HNB1 A:ANP800 4.0 28.4 1.0 O1A A:ANP800 4.0 23.8 1.0 N A:SER237 4.1 27.0 1.0 O A:HOH988 4.1 36.4 1.0 O A:HOH947 4.1 31.5 1.0 NH1 G:ARG346 4.1 25.0 1.0 HB2 A:LYS236 4.1 25.9 1.0 HH11 G:ARG346 4.1 25.6 1.0 CA A:SER237 4.2 27.5 1.0 CD A:GLU282 4.3 33.5 1.0 O2G A:ANP800 4.3 30.2 1.0 HE2 A:LYS236 4.3 24.9 1.0 O G:ASP317 4.3 33.6 1.0 O3A A:ANP800 4.4 26.9 1.0 OD1 G:ASN314 4.4 36.2 1.0 HA2 G:GLY318 4.5 34.5 1.0 NH2 G:ARG343 4.5 29.0 1.0 HA A:SER237 4.5 27.7 1.0 HH22 G:ARG343 4.6 29.1 1.0 O2B A:ANP800 4.6 26.1 1.0 PA A:ANP800 4.7 27.4 1.0 HZ3 A:LYS236 4.8 24.8 1.0 HG1 A:THR330 4.9 27.9 0.0 HZ2 A:LYS236 4.9 24.9 1.0

Magnesium binding site 2 out of 7 in the BCS1 Aaa Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of BCS1 Aaa Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg801 b:34.3 occ:1.00 HG B:SER237 1.9 27.9 0.0 O1G B:ANP800 2.0 32.9 1.0 O B:HOH924 2.0 37.1 1.0 O E:HOH939 2.1 36.3 1.0 O2B B:ANP800 2.1 30.8 1.0 OG B:SER237 2.2 27.9 1.0 O B:HOH974 2.2 36.6 1.0 HB2 B:SER237 3.0 30.3 1.0 CB B:SER237 3.1 30.7 1.0 PG B:ANP800 3.2 33.2 1.0 H B:SER237 3.3 31.9 1.0 PB B:ANP800 3.4 32.5 1.0 N3B B:ANP800 3.5 32.1 1.0 HH12 E:ARG346 3.5 34.8 1.0 HB3 B:SER237 3.8 30.3 1.0 HH21 E:ARG343 3.8 32.2 1.0 O3G B:ANP800 3.9 29.2 1.0 OE1 B:GLU282 4.0 38.9 1.0 O B:HOH1019 4.0 32.6 1.0 O1A B:ANP800 4.0 34.2 1.0 N B:SER237 4.0 31.7 1.0 O B:HOH922 4.1 47.8 1.0 OE2 B:GLU282 4.1 36.1 1.0 HH11 E:ARG346 4.1 34.7 1.0 NH1 E:ARG346 4.1 34.0 1.0 CA B:SER237 4.1 31.6 1.0 HB2 B:LYS236 4.1 32.1 1.0 HNB1 B:ANP800 4.2 32.5 1.0 O E:ASP317 4.3 38.7 1.0 O3A B:ANP800 4.3 35.3 1.0 CD B:GLU282 4.3 35.9 1.0 HE2 B:LYS236 4.3 34.2 1.0 HA2 E:GLY318 4.3 42.3 1.0 OD1 E:ASN314 4.4 37.1 1.0 O2G B:ANP800 4.4 32.8 1.0 HA B:SER237 4.5 31.6 1.0 NH2 E:ARG343 4.5 32.1 1.0 O1B B:ANP800 4.6 32.0 1.0 HH22 E:ARG343 4.6 32.2 1.0 PA B:ANP800 4.7 35.0 1.0 HZ3 B:LYS236 4.9 36.0 1.0 HG1 B:THR330 5.0 30.8 0.0 HZ2 B:LYS236 5.0 36.1 1.0

Magnesium binding site 3 out of 7 in the BCS1 Aaa Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of BCS1 Aaa Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg801 b:35.4 occ:1.00 O C:HOH908 1.9 34.3 1.0 O1G C:ANP800 2.0 29.9 1.0 HG C:SER237 2.1 26.6 0.0 O C:HOH979 2.1 26.9 1.0 O2B C:ANP800 2.2 31.8 1.0 OG C:SER237 2.3 27.2 1.0 O B:HOH909 2.5 33.6 1.0 PG C:ANP800 3.0 29.2 1.0 HB2 C:SER237 3.2 29.7 1.0 PB C:ANP800 3.2 33.0 1.0 N3B C:ANP800 3.3 30.9 1.0 CB C:SER237 3.3 30.2 1.0 H C:SER237 3.3 30.3 1.0 HH12 B:ARG346 3.6 35.1 1.0 O3G C:ANP800 3.6 28.9 1.0 HNB1 C:ANP800 3.9 31.1 1.0 HH21 B:ARG343 3.9 36.7 1.0 OE1 C:GLU282 3.9 40.9 1.0 HB2 C:LYS236 3.9 31.7 1.0 O C:HOH952 3.9 36.2 1.0 HE2 C:LYS236 4.0 33.6 1.0 HB3 C:SER237 4.0 29.7 1.0 N C:SER237 4.0 30.0 1.0 OE2 C:GLU282 4.1 41.2 1.0 O C:HOH929 4.1 39.1 1.0 O1A C:ANP800 4.1 30.2 1.0 NH1 B:ARG346 4.2 35.3 1.0 CA C:SER237 4.2 30.9 1.0 O2G C:ANP800 4.2 28.3 1.0 O3A C:ANP800 4.3 30.2 1.0 O1B C:ANP800 4.3 31.0 1.0 HH11 B:ARG346 4.3 35.1 1.0 CD C:GLU282 4.3 38.9 1.0 HZ2 C:LYS236 4.5 34.5 1.0 HZ3 C:LYS236 4.6 34.5 1.0 NH2 B:ARG343 4.6 37.3 1.0 HA C:SER237 4.6 30.8 1.0 O B:ASP317 4.6 33.8 1.0 HH22 B:ARG343 4.7 36.7 1.0 PA C:ANP800 4.7 30.8 1.0 OD1 B:ASN314 4.7 39.8 1.0 HA2 B:GLY318 4.8 34.3 1.0 HG1 C:THR330 4.8 26.4 0.0 CE C:LYS236 4.8 33.4 1.0 CB C:LYS236 4.8 31.7 1.0 NZ C:LYS236 4.8 35.0 1.0

Magnesium binding site 4 out of 7 in the BCS1 Aaa Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of BCS1 Aaa Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg801 b:28.9 occ:1.00 HG D:SER237 1.9 28.3 0.0 O A:HOH961 2.0 27.5 1.0 O2B D:ANP800 2.0 27.4 1.0 O D:HOH960 2.1 29.0 1.0 O1G D:ANP800 2.1 29.1 1.0 O D:HOH931 2.1 23.0 1.0 OG D:SER237 2.1 28.8 1.0 HB2 D:SER237 3.0 30.5 1.0 CB D:SER237 3.1 30.7 1.0 PB D:ANP800 3.2 27.7 1.0 PG D:ANP800 3.2 29.0 1.0 H D:SER237 3.3 31.9 1.0 N3B D:ANP800 3.3 29.0 1.0 HH12 A:ARG346 3.5 31.8 1.0 HB3 D:SER237 3.7 30.4 1.0 HH21 A:ARG343 3.8 34.2 1.0 O3G D:ANP800 3.9 27.9 1.0 N D:SER237 3.9 32.3 1.0 O1A D:ANP800 4.0 29.4 1.0 O3A D:ANP800 4.0 28.8 1.0 OE1 D:GLU282 4.0 35.4 1.0 HNB1 D:ANP800 4.0 28.9 1.0 O D:HOH1018 4.0 32.7 1.0 OE2 D:GLU282 4.1 33.3 1.0 CA D:SER237 4.1 31.5 1.0 HB2 D:LYS236 4.1 30.4 1.0 NH1 A:ARG346 4.1 32.4 1.0 HH11 A:ARG346 4.1 31.6 1.0 O D:HOH936 4.3 31.1 1.0 O A:ASP317 4.3 31.1 1.0 HE2 D:LYS236 4.3 30.0 1.0 O2G D:ANP800 4.3 28.8 1.0 O1B D:ANP800 4.4 27.9 1.0 CD D:GLU282 4.4 34.8 1.0 HA2 A:GLY318 4.5 33.5 1.0 NH2 A:ARG343 4.5 34.6 1.0 HA D:SER237 4.5 31.5 1.0 PA D:ANP800 4.5 29.5 1.0 HH22 A:ARG343 4.5 34.1 1.0 OD1 A:ASN314 4.6 32.3 1.0 HZ3 D:LYS236 4.8 30.0 1.0 HZ2 D:LYS236 4.9 30.1 1.0 O2A D:ANP800 4.9 26.9 1.0

Magnesium binding site 5 out of 7 in the BCS1 Aaa Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of BCS1 Aaa Domain within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg801 b:32.0 occ:1.00 O1G E:ANP800 1.8 31.0 1.0 O E:HOH938 2.0 25.6 1.0 HG E:SER237 2.1 26.7 0.0 O1B E:ANP800 2.1 29.3 1.0 O E:HOH929 2.1 34.4 1.0 O E:HOH942 2.1 28.5 1.0 OG E:SER237 2.3 26.5 1.0 PG E:ANP800 3.0 31.3 1.0 PB E:ANP800 3.1 29.8 1.0 HB2 E:SER237 3.1 27.5 1.0 N3B E:ANP800 3.2 30.9 1.0 CB E:SER237 3.3 27.2 1.0 H E:SER237 3.3 28.6 1.0 HH12 F:ARG346 3.5 36.4 1.0 O3G E:ANP800 3.7 31.8 1.0 HH21 F:ARG343 3.8 36.8 1.0 HNB1 E:ANP800 3.9 31.0 1.0 O1A E:ANP800 3.9 28.1 1.0 HB3 E:SER237 4.0 27.4 1.0 HB2 E:LYS236 4.0 29.9 1.0 N E:SER237 4.0 28.3 1.0 O E:HOH933 4.1 38.2 1.0 NH1 F:ARG346 4.1 36.1 1.0 OE1 E:GLU282 4.1 39.8 1.0 O3A E:ANP800 4.1 31.3 1.0 HH11 F:ARG346 4.1 36.4 1.0 O E:HOH1009 4.2 45.1 1.0 HE2 E:LYS236 4.2 31.1 1.0 O2G E:ANP800 4.2 30.1 1.0 CA E:SER237 4.2 28.5 1.0 OE2 E:GLU282 4.3 40.4 1.0 O2B E:ANP800 4.3 31.4 1.0 O F:ASP317 4.4 32.8 1.0 NH2 F:ARG343 4.5 36.7 1.0 CD E:GLU282 4.5 39.2 1.0 PA E:ANP800 4.5 29.5 1.0 HH22 F:ARG343 4.5 36.8 1.0 OD1 F:ASN314 4.6 40.0 1.0 HA2 F:GLY318 4.6 36.4 1.0 HA E:SER237 4.6 28.5 1.0 HZ2 E:LYS236 4.6 31.9 1.0 HZ3 E:LYS236 4.6 31.8 1.0 O2A E:ANP800 4.9 30.7 1.0 CB E:LYS236 4.9 30.1 1.0 NZ E:LYS236 4.9 32.0 1.0 HG1 E:THR330 5.0 31.8 0.0 CE E:LYS236 5.0 31.2 1.0

Magnesium binding site 6 out of 7 in the BCS1 Aaa Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of BCS1 Aaa Domain within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg801 b:28.8 occ:1.00 HG F:SER237 2.0 27.3 0.0 O1G F:ANP800 2.0 28.1 1.0 O F:HOH927 2.0 29.1 1.0 O1B F:ANP800 2.0 25.6 1.0 O F:HOH925 2.2 21.4 1.0 OG F:SER237 2.3 27.8 1.0 O D:HOH958 2.4 32.1 1.0 PB F:ANP800 3.1 26.4 1.0 PG F:ANP800 3.1 29.7 1.0 HB2 F:SER237 3.2 27.9 1.0 N3B F:ANP800 3.3 28.2 1.0 CB F:SER237 3.3 28.1 1.0 H F:SER237 3.4 28.0 1.0 HH12 D:ARG346 3.4 32.8 1.0 O3G F:ANP800 3.7 28.5 1.0 HH21 D:ARG343 3.7 32.4 1.0 HNB1 F:ANP800 3.8 28.3 1.0 HB3 F:SER237 3.9 27.9 1.0 O1A F:ANP800 3.9 28.5 1.0 O F:HOH939 4.0 33.0 1.0 HB2 F:LYS236 4.0 27.8 1.0 OE1 F:GLU282 4.0 39.3 1.0 O3A F:ANP800 4.0 29.8 1.0 N F:SER237 4.1 28.1 1.0 NH1 D:ARG346 4.1 32.4 1.0 HH11 D:ARG346 4.1 32.7 1.0 HE2 F:LYS236 4.2 27.2 1.0 OE2 F:GLU282 4.2 40.3 1.0 O F:HOH940 4.2 31.0 1.0 O2B F:ANP800 4.3 27.5 1.0 CA F:SER237 4.3 27.5 1.0 O2G F:ANP800 4.3 28.1 1.0 NH2 D:ARG343 4.4 33.1 1.0 O D:ASP317 4.4 34.9 1.0 CD F:GLU282 4.5 40.9 1.0 HH22 D:ARG343 4.5 32.4 1.0 PA F:ANP800 4.5 28.2 1.0 HZ3 F:LYS236 4.6 27.4 1.0 HA F:SER237 4.7 28.0 1.0 HZ2 F:LYS236 4.7 27.5 1.0 HA2 D:GLY318 4.7 36.9 1.0 OD1 D:ASN314 4.9 34.1 1.0 HG1 F:THR330 5.0 28.3 0.0 CB F:LYS236 5.0 27.6 1.0 O2A F:ANP800 5.0 27.2 1.0 NZ F:LYS236 5.0 27.4 1.0

Magnesium binding site 7 out of 7 in the BCS1 Aaa Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of BCS1 Aaa Domain within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg801 b:30.0 occ:1.00 HG G:SER237 1.9 27.4 0.0 O G:HOH924 1.9 29.9 1.0 O1G G:ANP800 1.9 25.9 1.0 O G:HOH968 2.1 34.6 1.0 O C:HOH948 2.1 26.0 1.0 O1B G:ANP800 2.1 26.0 1.0 OG G:SER237 2.2 27.8 1.0 HB2 G:SER237 3.0 26.7 1.0 PG G:ANP800 3.1 25.9 1.0 CB G:SER237 3.2 26.3 1.0 PB G:ANP800 3.2 25.9 1.0 N3B G:ANP800 3.3 26.3 1.0 HH12 C:ARG346 3.4 29.9 1.0 H G:SER237 3.4 26.5 1.0 HH21 C:ARG343 3.7 30.7 1.0 HB3 G:SER237 3.8 26.7 1.0 O3G G:ANP800 3.8 26.6 1.0 O1A G:ANP800 3.9 26.0 1.0 NH1 C:ARG346 4.0 30.0 1.0 HH11 C:ARG346 4.0 29.9 1.0 O G:HOH1023 4.0 29.9 1.0 HNB1 G:ANP800 4.0 26.2 1.0 N G:SER237 4.1 26.3 1.0 O3A G:ANP800 4.1 26.4 1.0 OE1 G:GLU282 4.1 32.1 1.0 OE2 G:GLU282 4.2 28.5 1.0 HB2 G:LYS236 4.2 29.9 1.0 O C:ASP317 4.2 31.1 1.0 CA G:SER237 4.2 26.3 1.0 O2G G:ANP800 4.3 23.8 1.0 O G:HOH1025 4.3 39.0 1.0 HE2 G:LYS236 4.4 32.6 1.0 NH2 C:ARG343 4.4 30.7 1.0 HA2 C:GLY318 4.4 34.3 1.0 HH22 C:ARG343 4.4 30.6 1.0 O2B G:ANP800 4.4 25.1 1.0 CD G:GLU282 4.5 31.8 1.0 PA G:ANP800 4.6 26.8 1.0 OD1 C:ASN314 4.6 35.6 1.0 HA G:SER237 4.6 26.5 1.0 HZ3 G:LYS236 4.8 32.8 1.0 HZ2 G:LYS236 4.9 32.9 1.0

W.K.Tang, D.Xia. Structures of Aaa Protein Translocase BCS1 Suggest Translocation Mechanism of A Folded Protein Nat.Struct.Mol.Biol. 2020.
ISSN: ESSN 1545-9985