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Potassium in PDB 7ox9: Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide

Protein crystallography data

The structure of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide, PDB code: 7ox9 was solved by M.Pacesa, P.Donohoue, A.P.May, M.Jinek, P.Cameron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.16 / 2.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 178.08, 68.205, 187.771, 90, 111.14, 90
R / Rfree (%) 19.5 / 23.3

Other elements in 7ox9:

The structure of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Potassium Binding Sites:

Pages:

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

Binding sites:

The binding sites of Potassium atom in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide (pdb code 7ox9). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 11 binding sites of Potassium where determined in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide, PDB code: 7ox9:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 11 in 7ox9

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Potassium binding site 1 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K103

b:39.8
occ:1.00
 O4 A:U66 2.7 32.5 1.0
O B:HOH1705 2.8 44.6 1.0
OP2 A:A65 2.8 40.1 1.0
OG1 B:THR1102 2.9 39.6 1.0
O A:HOH312 3.0 44.8 1.0
O A:HOH241 3.0 31.5 1.0
O A:HOH331 3.4 50.7 1.0
CG2 B:THR1102 3.5 37.5 1.0
C4 A:U66 3.6 38.9 1.0
CB B:THR1102 3.8 40.5 1.0
C5 A:U66 4.0 40.4 1.0
P A:A65 4.2 38.0 1.0
N4 A:C67 4.4 34.9 1.0
O A:HOH226 4.4 43.9 1.0
OP1 A:U64 4.5 38.4 1.0
O B:HOH1597 4.5 39.6 1.0
N7 A:A65 4.6 49.1 1.0
OP1 A:A65 4.8 34.5 1.0
O B:VAL1100 4.8 42.2 1.0
O5' A:A65 4.8 42.6 1.0
N3 A:U66 4.9 40.6 1.0
O A:HOH230 4.9 33.5 1.0
OP2 A:U64 4.9 42.4 1.0

Potassium binding site 2 out of 11 in 7ox9

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Potassium binding site 2 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K104

b:53.4
occ:1.00
 O B:HOH1649 2.7 40.5 1.0
O B:HOH1619 2.7 39.8 1.0
O B:GLN1350 2.7 40.2 1.0
O B:HOH1787 2.8 55.5 1.0
O A:HOH209 2.8 45.9 1.0
O4' A:A68 3.0 53.1 1.0
C1' A:A68 3.5 54.0 1.0
C B:GLN1350 3.9 40.6 1.0
C4' A:A68 4.1 45.3 1.0
N9 A:A68 4.2 51.4 1.0
O B:SER1351 4.3 36.9 1.0
OG1 B:THR1098 4.3 48.6 1.0
O5' A:A68 4.3 38.9 1.0
C B:SER1351 4.4 41.8 1.0
C8 A:A68 4.5 52.9 1.0
O A:HOH244 4.5 45.7 1.0
O B:HOH1723 4.6 59.2 1.0
OP1 A:A68 4.6 45.0 1.0
CA B:GLN1350 4.7 42.8 1.0
CG1 B:VAL1095 4.7 35.9 1.0
N B:THR1098 4.7 39.0 1.0
OP2 A:A68 4.8 40.8 1.0
CB B:GLN1350 4.8 41.0 1.0
N B:GLN1350 4.8 39.0 1.0
CA B:SER1351 4.8 37.7 1.0
N B:SER1351 4.8 41.7 1.0
C5' A:A68 4.8 39.6 1.0
P A:A68 4.8 41.6 1.0
C2' A:A68 4.8 56.0 1.0
CG2 B:THR1098 4.9 44.4 1.0
O2' A:A68 4.9 58.0 1.0
N B:ILE1352 4.9 39.7 1.0

Potassium binding site 3 out of 11 in 7ox9

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Potassium binding site 3 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K105

b:83.8
occ:1.00
 O A:HOH296 2.6 49.3 1.0
O A:HOH214 2.6 61.2 1.0
O B:HOH1794 2.8 32.7 1.0
N7 A:A19 3.3 39.2 1.0
O A:HOH302 3.4 49.1 1.0
N6 A:A19 4.0 40.8 1.0
O B:HOH1768 4.1 54.1 1.0
C8 A:A19 4.2 40.9 1.0
C5 A:A19 4.3 39.9 1.0
NH1 B:ARG71 4.4 48.0 1.0
N7 A:G18 4.4 38.0 1.0
C6 A:A19 4.6 41.5 1.0
O B:HOH1640 4.6 37.6 1.0
O B:HOH1624 4.6 51.8 1.0
C5 A:G18 4.7 37.5 1.0
O6 A:G18 4.8 41.1 1.0
C6 A:G18 4.9 39.1 1.0
C8 A:G18 5.0 38.6 1.0

Potassium binding site 4 out of 11 in 7ox9

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Potassium binding site 4 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1401

b:123.6
occ:1.00
 O B:HOH1654 2.8 50.1 1.0
O B:HOH1776 2.8 68.1 1.0
OE2 B:GLU57 3.2 64.9 1.0
O A:HOH331 3.2 50.7 1.0
O A:HOH280 3.7 70.7 1.0
CD B:GLU57 3.9 59.7 1.0
O B:HOH1687 4.0 59.3 1.0
OE1 B:GLU57 4.1 60.7 1.0
O B:HOH1664 4.2 68.0 1.0
O B:HOH1780 4.3 63.1 1.0
O B:HOH1553 4.3 55.0 1.0
O B:HOH1701 4.4 58.4 1.0
O B:THR1102 4.5 37.3 1.0
NE2 B:GLN1101 4.7 42.6 1.0
O B:HOH1705 4.7 44.6 1.0

Potassium binding site 5 out of 11 in 7ox9

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Potassium binding site 5 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1402

b:81.5
occ:1.00
 O B:THR624 2.7 36.7 1.0
O B:TYR656 2.8 46.4 1.0
O B:HOH1756 3.1 61.5 1.0
OP1 C:DC8 3.3 54.8 1.0
C B:THR624 3.7 42.1 1.0
C B:TYR656 3.8 44.4 1.0
O B:PHE626 3.8 43.9 1.0
O B:LEU623 4.0 42.0 1.0
CA B:THR624 4.0 41.3 1.0
CG2 B:THR657 4.1 40.9 1.0
CA B:THR657 4.3 42.0 1.0
C B:PHE626 4.4 45.8 1.0
C5' C:DC8 4.4 43.1 1.0
N B:THR657 4.4 42.5 1.0
P C:DC8 4.6 44.5 1.0
CB B:THR657 4.7 42.0 1.0
CB B:GLU627 4.7 57.6 1.0
N B:TYR656 4.8 43.5 1.0
N B:PHE626 4.8 51.2 1.0
CG B:GLU627 4.8 67.4 1.0
N B:GLU627 4.8 48.7 1.0
N B:LEU625 4.8 42.7 1.0
C B:LEU625 4.8 47.6 1.0
C B:LEU623 4.9 38.6 1.0
CA B:GLU627 4.9 50.7 1.0
CG2 B:THR624 4.9 35.5 1.0
N B:THR624 4.9 41.8 1.0
O5' C:DC8 5.0 44.7 1.0
CA B:TYR656 5.0 42.7 1.0

Potassium binding site 6 out of 11 in 7ox9

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Potassium binding site 6 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1403

b:77.6
occ:1.00
 O B:ALA367 2.7 62.6 1.0
O B:TYR362 2.8 54.7 1.0
O B:GLY365 2.9 63.7 1.0
O B:HOH1766 3.1 49.5 1.0
N B:ALA367 3.3 65.1 1.0
O B:GLY361 3.3 61.1 1.0
C B:TYR362 3.6 55.5 1.0
C B:ALA367 3.6 60.5 1.0
O B:HOH1737 3.6 54.8 1.0
C B:GLY366 3.7 66.0 1.0
C B:GLY365 3.7 62.0 1.0
CA B:GLY366 3.9 65.2 1.0
NZ B:LYS401 3.9 43.5 1.0
CA B:ALA367 4.0 64.2 1.0
CA B:TYR362 4.0 56.4 1.0
N B:GLY366 4.1 65.2 1.0
O B:HOH1546 4.3 37.7 1.0
C B:GLY361 4.4 59.0 1.0
O B:GLY366 4.4 67.1 1.0
OP1 A:U22 4.5 45.6 1.0
N B:ILE363 4.6 52.5 1.0
O B:ILE363 4.6 56.3 1.0
C B:ILE363 4.7 52.4 1.0
N B:SER368 4.7 56.7 1.0
N B:TYR362 4.7 59.0 1.0
N B:GLY365 4.7 61.8 1.0
CB B:ALA367 4.7 63.3 1.0
CA B:GLY365 4.8 63.2 1.0
CA B:ILE363 5.0 49.5 1.0

Potassium binding site 7 out of 11 in 7ox9

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Potassium binding site 7 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1404

b:91.5
occ:1.00
 O B:PHE643 2.8 73.4 1.0
O B:ALA640 2.9 72.7 1.0
OD1 B:ASP645 3.9 109.3 1.0
C B:PHE643 3.9 73.7 1.0
C B:ALA640 4.0 66.8 1.0
CA B:HIS641 4.2 63.9 1.0
O B:HIS641 4.3 64.8 1.0
C B:HIS641 4.4 65.7 1.0
CA B:ASP644 4.5 89.1 1.0
N B:HIS641 4.5 62.3 1.0
N B:ASP644 4.6 80.8 1.0
N B:ASP645 4.7 89.8 1.0
C B:ASP644 4.7 87.5 1.0
N B:PHE643 4.8 66.4 1.0
CG B:ASP645 4.9 107.5 1.0
CA B:PHE643 5.0 67.7 1.0

Potassium binding site 8 out of 11 in 7ox9

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Potassium binding site 8 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1405

b:60.4
occ:1.00
 OD1 B:ASN588 2.8 46.0 1.0
O B:ARG586 2.8 45.5 1.0
O B:HOH1710 2.9 49.5 1.0
O B:GLU584 3.0 58.2 1.0
O C:HOH218 3.0 59.4 1.0
O B:HOH1764 3.2 56.4 1.0
CG B:ASN588 3.6 45.7 1.0
ND2 B:ASN588 3.8 43.9 1.0
O C:HOH212 3.8 55.3 1.0
C B:ARG586 4.0 48.3 1.0
C B:GLU584 4.2 60.4 1.0
NH1 B:ARG586 4.2 84.2 1.0
N B:ARG586 4.3 52.8 1.0
N B:GLU584 4.6 57.6 1.0
N B:ASN588 4.6 38.0 1.0
CG B:ARG586 4.7 63.6 1.0
CA B:ARG586 4.7 51.3 1.0
CZ B:ARG586 4.8 82.9 1.0
CB B:ASN588 4.8 46.1 1.0
C B:PHE587 4.9 44.2 1.0
CA B:GLU584 4.9 63.1 1.0
CA B:ASN588 4.9 41.2 1.0

Potassium binding site 9 out of 11 in 7ox9

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Potassium binding site 9 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1406

b:107.7
occ:1.00
 O B:ILE226 2.8 83.7 1.0
O B:GLY231 3.0 128.6 1.0
O B:LEU229 3.1 78.4 1.0
CG2 B:ILE226 3.7 80.6 1.0
C B:ILE226 3.8 85.3 1.0
O B:ALA227 4.1 88.3 1.0
CA B:ALA227 4.1 90.8 1.0
C B:GLY231 4.2 127.6 1.0
O B:GLU232 4.2 102.3 1.0
C B:LEU229 4.2 76.0 1.0
C B:ALA227 4.3 89.3 1.0
N B:ALA227 4.3 89.0 1.0
N B:GLY231 4.4 131.3 1.0
N B:LEU229 4.7 72.6 1.0
CA B:GLY231 4.8 130.3 1.0
C B:GLU232 4.8 101.3 1.0
CA B:ILE226 4.8 81.8 1.0
CB B:ILE226 4.9 80.0 1.0
CA B:LEU229 5.0 72.6 1.0

Potassium binding site 10 out of 11 in 7ox9

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Potassium binding site 10 out of 11 in the Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of Target-Bound SPCAS9 Complex with AAVS1 All-Rna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K101

b:73.4
occ:1.00
 O B:HOH1767 2.8 75.2 1.0
O C:HOH208 2.9 44.5 1.0
O6 C:DG6 3.0 33.7 1.0
O4 C:DT5 3.3 37.4 1.0
O C:HOH207 3.8 49.1 1.0
C6 C:DG6 4.1 32.3 1.0
C4 C:DT5 4.1 44.7 1.0
N4 A:C15 4.2 32.9 1.0
C7 C:DT5 4.3 31.7 1.0
N7 C:DG6 4.4 35.4 1.0
N6 A:A16 4.4 33.1 1.0
C5 C:DT5 4.6 44.2 1.0
C5 C:DG6 4.6 36.6 1.0
O B:HOH1650 4.7 54.1 1.0

Reference:

P.D.Donohoue, M.Pacesa, E.Lau, B.Vidal, M.J.Irby, D.B.Nyer, T.Rotstein, L.Banh, M.S.Toh, J.Gibson, B.Kohrs, K.Baek, A.L.G.Owen, E.M.Slorach, M.Van Overbeek, C.K.Fuller, A.P.May, M.Jinek, P.Cameron. Conformational Control of CAS9 By Crispr Hybrid Rna-Dna Guides Mitigates Off-Target Activity in T Cells. Mol.Cell V. 81 3637 2021.
ISSN: ISSN 1097-2765
PubMed: 34478654
DOI: 10.1016/J.MOLCEL.2021.07.035
Page generated: Mon Aug 12 19:46:11 2024

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