Barium in PDB 6m0x: Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam

The structure of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam, PDB code: 6m0x was solved by Y.Zhang, H.Zhang, X.Xu, Y.Wang, W.Chen, Y.Wang, Z.Wu, N.Tang, Y.Wang, S.Zhao, J.Gan, Q.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.90 / 2.56
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	322.165, 75.250, 70.008, 90.00, 93.28, 90.00
R / Rfree (%)	22.6 / 25.6

The structure of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Barium atom in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam (pdb code 6m0x). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 14 binding sites of Barium where determined in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam, PDB code: 6m0x:
Jump to Barium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Barium binding site 1 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1201 b:94.0 occ:1.00 OP2 C:DT17 2.7 47.9 1.0 O A:GLY421 2.9 53.5 1.0 O C:HOH204 3.0 54.1 1.0 C A:GLY421 3.7 54.4 1.0 P C:DT17 4.0 47.6 1.0 CA A:GLY421 4.0 53.9 1.0 C7 C:DT17 4.3 45.8 1.0 NZ A:LYS560 4.4 50.3 1.0 OP1 C:DT17 4.5 49.4 1.0 N A:GLY423 4.6 54.6 1.0 OP1 C:DT16 4.7 49.7 1.0 O5' C:DT16 4.7 45.7 1.0 O3' C:DT16 4.7 46.5 1.0 N A:LYS422 4.7 55.8 1.0 CA A:GLY423 4.8 53.8 1.0 OP2 C:DT16 4.9 46.4 1.0 C3' C:DT16 4.9 45.3 1.0 P C:DT16 5.0 46.5 1.0 C A:LYS422 5.0 55.7 1.0

Barium binding site 2 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1202 b:0.7 occ:1.00 O A:LYS848 3.0 46.9 1.0 C A:LYS848 4.1 41.2 1.0 O C:HOH203 4.2 34.9 1.0 OP2 C:DT8 4.5 31.8 1.0 CA A:ILE849 4.8 39.6 1.0 N A:LYS848 4.8 33.5 1.0 N A:ILE849 4.9 39.0 1.0

Barium binding site 3 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1203 b:0.5 occ:1.00 O A:THR514 3.1 1.0 1.0 ND2 A:ASN515 3.7 89.3 1.0 CA A:ASN515 4.2 0.4 1.0 C A:THR514 4.3 0.4 1.0 CG A:ASN515 4.5 89.7 1.0 N A:ASN515 4.7 0.4 1.0 N A:GLU516 4.8 0.9 1.0 CB A:ASN515 4.9 97.0 1.0

Barium binding site 4 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1204 b:68.9 occ:1.00 O A:HOH1316 2.7 32.0 1.0 OD1 A:ASP824 2.9 40.1 1.0 O D:HOH201 3.0 32.2 1.0 OG A:SER961 3.1 35.6 1.0 O A:HOH1317 3.6 61.4 1.0 CG A:ASP824 3.7 32.1 1.0 OD2 A:ASP824 3.8 32.1 1.0 CB A:SER961 3.9 30.3 1.0 O A:SER961 4.7 30.1 1.0 O2 C:DT8 4.7 32.0 1.0 O4' D:DA3 4.9 32.2 1.0

Barium binding site 5 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1205 b:0.2 occ:1.00 O A:ASP168 3.0 62.4 1.0 O A:HOH1301 3.1 38.5 1.0 C A:ASP168 4.1 53.9 1.0 OD1 A:ASP168 4.3 48.2 1.0 OP1 B:G21 4.4 39.2 1.0 N A:ASP168 4.4 44.8 1.0 O A:HOH1303 4.8 42.0 1.0 CA A:ASP168 4.9 49.0 1.0 CG A:ASP168 4.9 52.6 1.0

Barium binding site 6 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 6 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1206 b:0.8 occ:1.00 O A:LYS357 2.9 79.0 1.0 O A:LEU359 3.0 78.7 1.0 OD1 A:ASP363 3.4 0.7 1.0 O A:LEU362 4.0 79.6 1.0 C A:LYS357 4.1 77.6 1.0 C A:LEU359 4.1 78.7 1.0 CG A:ASP363 4.5 0.5 1.0 OE2 A:GLU360 4.6 99.1 1.0 CA A:ASP363 4.6 93.8 1.0 N A:LEU359 4.6 76.8 1.0 C A:THR358 4.7 78.2 1.0 CB A:ASP363 4.8 0.8 1.0 CA A:LYS357 4.9 76.9 1.0 O A:THR358 5.0 79.4 1.0 C A:LEU362 5.0 78.0 1.0 N A:THR358 5.0 78.5 1.0 CA A:THR358 5.0 78.2 1.0 CA A:LEU359 5.0 76.4 1.0

Barium binding site 7 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 7 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba101 b:40.3 occ:1.00 O B:HOH213 2.5 30.2 1.0 OP1 B:U50 2.7 30.7 1.0 N7 B:G53 2.9 38.8 1.0 O6 B:G53 3.1 34.0 1.0 C5 B:G53 3.6 36.1 1.0 C6 B:G53 3.7 33.5 1.0 C8 B:G53 4.0 36.9 1.0 P B:U50 4.2 30.7 1.0 N1 B:G64 4.5 31.0 1.0 O6 B:G64 4.7 30.6 1.0 OP2 B:A52 4.8 29.6 1.0 OP1 B:A51 4.9 29.7 1.0 N7 B:G54 4.9 33.3 1.0 O3' B:A49 4.9 30.9 1.0 C4 B:G53 4.9 37.2 1.0

Barium binding site 8 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 8 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba102 b:83.5 occ:1.00 O B:HOH208 2.6 43.3 1.0 O B:HOH221 2.7 47.4 1.0 O6 B:G40 2.8 44.7 1.0 C6 B:G40 3.8 43.2 1.0 N7 B:G40 4.1 42.2 1.0 OP2 B:A38 4.1 60.4 1.0 C5 B:G40 4.3 42.3 1.0 N7 B:A39 4.6 45.9 1.0 OP2 B:G27 4.7 45.2 1.0 N1 B:G40 4.9 43.0 1.0

Barium binding site 9 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 9 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba103 b:0.3 occ:1.00 O4 B:U2 2.7 77.3 1.0 C4 B:U2 3.8 76.3 1.0 C5 B:U2 4.4 74.6 1.0 N6 C:DA27 4.6 82.9 1.0 N3 B:U2 4.9 78.2 1.0

Barium binding site 10 out of 14 in the Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 10 of Crystal Structure of Streptococcus Thermophilus CAS9 in Complex with Agga Pam within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba104 b:0.2 occ:1.00 O A:HOH1320 2.8 35.8 1.0 N6 B:A49 4.4 31.6 1.0 O4 B:U22 4.6 35.8 1.0 N6 B:A47 4.6 34.9 1.0 NH2 A:ARG166 4.9 37.8 1.0

Y.Zhang, H.Zhang, X.Xu, Y.Wang, W.Chen, Y.Wang, Z.Wu, N.Tang, Y.Wang, S.Zhao, J.Gan, Q.Ji. Catalytic-State Structure and Engineering of Streptococcus Thermophilus CAS9 Nat Catal 2020.
ISSN: ESSN 2520-1158
DOI: 10.1038/S41929-020-00506-9