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Potassium in PDB 6i1l: Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target

Enzymatic activity of Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target

All present enzymatic activity of Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target:
3.1.21.1; 3.1.27.2;

Protein crystallography data

The structure of Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target, PDB code: 6i1l was solved by M.Jinek, D.C.Swarts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.14 / 2.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.800, 188.580, 284.120, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 23.1

Other elements in 6i1l:

The structure of Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target also contains other interesting chemical elements:

Magnesium (Mg) 9 atoms

Potassium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Potassium atom in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target (pdb code 6i1l). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 12 binding sites of Potassium where determined in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target, PDB code: 6i1l:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 12 in 6i1l

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Potassium binding site 1 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


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 FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1408

b:95.6
occ:1.00
 O A:ILE586 3.1 66.1 1.0
O A:GLN588 3.3 66.2 1.0
O A:LEU515 3.8 74.6 1.0
O A:TRP971 3.8 65.5 1.0
O A:THR587 4.0 61.1 1.0
C A:THR587 4.1 61.2 1.0
N A:LYS973 4.2 67.6 1.0
C A:ILE586 4.2 56.0 1.0
CA A:THR587 4.3 61.1 1.0
C A:GLN588 4.3 65.9 1.0
C A:LYS972 4.4 73.4 1.0
CA A:LYS973 4.4 73.1 1.0
O A:LYS972 4.6 70.9 1.0
C A:LEU515 4.6 74.6 1.0
CA A:LEU515 4.6 67.2 1.0
N A:GLN588 4.7 65.5 1.0
N A:THR587 4.8 61.3 1.0
C A:TRP971 4.8 66.0 1.0
CB A:LYS973 4.8 75.0 1.0
CA A:LYS589 4.9 67.2 1.0
CA A:LYS972 4.9 72.0 1.0
CD A:PRO590 5.0 67.4 1.0

Potassium binding site 2 out of 12 in 6i1l

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Potassium binding site 2 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


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 FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1409

b:94.8
occ:1.00
 ND1 A:HIS990 2.9 61.9 1.0
OP1 B:A-1 3.1 53.0 1.0
CE1 A:HIS990 3.5 58.2 1.0
CG A:HIS990 4.1 60.0 1.0
CD1 A:LEU1038 4.2 58.7 1.0
O3' B:G-2 4.2 64.8 1.0
P B:A-1 4.2 55.2 1.0
CE1 A:PHE1040 4.3 61.2 1.0
CE A:LYS1034 4.3 54.0 1.0
CB A:ALA993 4.4 50.5 1.0
O A:HIS990 4.4 62.2 1.0
CA A:HIS990 4.4 58.0 1.0
CD1 A:PHE1040 4.4 54.7 1.0
O A:VAL1039 4.6 55.6 1.0
CB A:HIS990 4.6 58.9 1.0
NE2 A:HIS990 4.7 61.4 1.0
C A:HIS990 4.9 60.9 1.0
C5' B:A-1 4.9 51.5 1.0
NZ A:LYS1034 5.0 52.0 1.0
CG A:LYS994 5.0 63.3 1.0

Potassium binding site 3 out of 12 in 6i1l

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Potassium binding site 3 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


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 FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1410

b:84.7
occ:1.00
 NH2 A:ARG18 3.3 59.1 1.0
O4 B:CIT102 3.4 79.7 1.0
O2' B:U-15 3.5 59.7 1.0
CG A:PHE879 3.8 48.5 1.0
CD1 A:PHE879 3.8 47.4 1.0
NE2 A:HIS881 3.9 49.0 1.0
CE1 A:PHE879 4.1 50.5 1.0
CD2 A:PHE879 4.1 51.0 1.0
NZ A:LYS595 4.2 46.3 1.0
CB A:PHE879 4.2 51.6 1.0
C5 B:CIT102 4.3 79.7 1.0
O3 B:CIT102 4.4 79.7 1.0
CZ A:ARG18 4.5 58.0 1.0
CZ A:PHE879 4.5 53.0 1.0
CE2 A:PHE879 4.5 55.8 1.0
NH1 A:ARG833 4.6 69.9 1.0
CD A:LYS595 4.8 44.6 1.0
CD A:ARG18 4.8 56.4 1.0
CE1 A:HIS881 4.8 47.9 1.0
CD2 A:HIS881 4.9 45.3 1.0
C2' B:U-15 4.9 54.8 1.0
O3' B:U-15 4.9 56.0 1.0

Potassium binding site 4 out of 12 in 6i1l

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Potassium binding site 4 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


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 FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1411

b:0.7
occ:1.00
 O A:LEU66 3.0 74.3 1.0
O A:VAL69 3.3 92.4 1.0
OH A:TYR248 3.3 57.8 1.0
O A:ASN270 3.7 66.8 1.0
O A:SER67 3.8 79.9 1.0
C A:LEU66 4.1 68.4 1.0
CA A:SER67 4.1 72.3 1.0
C A:SER67 4.2 77.5 1.0
CZ A:TYR248 4.3 56.8 1.0
C A:VAL69 4.5 92.5 1.0
N A:SER67 4.7 66.4 1.0
C A:ASN270 4.8 61.2 1.0
N A:VAL69 4.9 92.2 1.0
CE1 A:TYR248 4.9 54.9 1.0

Potassium binding site 5 out of 12 in 6i1l

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Potassium binding site 5 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


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 FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1412

b:0.3
occ:1.00
 O A:HOH1524 3.3 72.1 1.0
OD2 A:ASP261 3.4 72.7 1.0
CG A:ASP261 3.5 72.6 1.0
OD1 A:ASP261 3.7 74.2 1.0
CB A:ASP261 4.1 69.9 1.0
CD2 A:TYR231 4.2 66.6 1.0
CE2 A:TYR231 4.2 68.2 1.0
OH A:TYR218 4.3 71.2 1.0
N A:ASP261 4.4 68.4 1.0
CB A:SER259 4.5 60.5 1.0
OG A:SER259 4.9 62.1 1.0
CA A:ASP261 4.9 66.7 1.0
CZ A:TYR231 5.0 68.6 1.0
CG A:TYR231 5.0 63.6 1.0

Potassium binding site 6 out of 12 in 6i1l

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Potassium binding site 6 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K104

b:81.1
occ:1.00
 O2' B:A-1 3.2 52.7 1.0
N3 B:A-1 3.3 58.8 1.0
O4' B:U0 3.8 49.5 1.0
O2 B:C-13 3.9 44.7 1.0
C2' B:A-1 3.9 52.0 1.0
C2 B:A-1 4.0 49.2 1.0
O A:GLU982 4.2 50.9 1.0
C1' B:A-1 4.2 53.6 1.0
CB A:SER986 4.4 50.8 1.0
O A:HOH1506 4.4 56.6 1.0
C4 B:A-1 4.4 64.8 1.0
C A:GLU982 4.5 49.2 1.0
C4' B:U0 4.6 46.6 1.0
N2 B:G-2 4.6 50.4 1.0
C2 B:C-13 4.6 52.0 1.0
CB A:GLU982 4.7 57.3 1.0
C1' B:U0 4.7 52.6 1.0
CE A:MET1030 4.8 52.1 1.0
N9 B:A-1 4.8 60.6 1.0
C5' B:U0 4.8 47.0 1.0
C1' B:C-13 4.9 51.8 1.0
OG A:SER986 4.9 58.8 1.0
N A:GLY983 5.0 44.7 1.0

Potassium binding site 7 out of 12 in 6i1l

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Potassium binding site 7 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1407

b:0.1
occ:1.00
 NH1 D:ARG43 3.4 68.1 1.0
CD D:ARG43 3.4 59.8 1.0
O D:SER171 3.7 71.7 1.0
CE2 D:PHE172 4.1 62.1 1.0
OG D:SER171 4.1 65.2 1.0
CZ D:ARG43 4.2 69.0 1.0
NE D:ARG43 4.2 65.7 1.0
CG D:ARG43 4.2 53.6 1.0
CD2 D:PHE172 4.3 61.5 1.0
C D:SER171 4.4 66.1 1.0
CZ D:PHE172 4.4 59.1 1.0
CB D:SER171 4.5 63.3 1.0
CG D:PHE172 4.8 61.0 1.0
CB D:ARG43 4.8 56.6 1.0
CE1 D:PHE172 4.9 60.8 1.0
OD2 D:ASP46 4.9 76.9 1.0

Potassium binding site 8 out of 12 in 6i1l

Go back to Potassium Binding Sites List in 6i1l
Potassium binding site 8 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1408

b:93.1
occ:1.00
 O2 D:CIT1405 3.3 89.5 1.0
NE2 D:HIS881 3.3 60.0 1.0
O2' E:U-15 4.0 67.0 1.0
NH2 D:ARG18 4.0 66.9 1.0
CD D:LYS595 4.0 58.2 1.0
CG D:PHE879 4.0 57.0 1.0
CE1 D:HIS881 4.1 59.0 1.0
CE D:LYS595 4.1 57.9 1.0
CD1 D:PHE879 4.2 56.0 1.0
C1 D:CIT1405 4.2 89.5 1.0
CB D:PHE879 4.3 60.6 1.0
CD D:ARG18 4.3 65.0 1.0
CD2 D:HIS881 4.3 56.5 1.0
C2 D:CIT1405 4.4 89.5 1.0
CD2 D:PHE879 4.4 59.1 1.0
NZ D:LYS595 4.5 60.1 1.0
O6 D:CIT1405 4.6 89.5 1.0
CE1 D:PHE879 4.7 58.8 1.0
CE2 D:PHE879 4.9 63.5 1.0
CZ D:PHE879 5.0 60.8 1.0

Potassium binding site 9 out of 12 in 6i1l

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Potassium binding site 9 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1409

b:0.0
occ:1.00
 OG1 D:THR160 3.2 69.2 1.0
O D:SER157 3.7 98.6 1.0
O A:GLN780 3.8 65.0 1.0
CB A:ASN30 3.8 56.0 1.0
O D:ASP158 3.9 0.1 1.0
CG A:ASN30 3.9 56.9 1.0
OD1 A:ASN30 3.9 57.0 1.0
CA A:GLY781 4.1 59.7 1.0
CD A:ARG34 4.3 76.3 1.0
N D:THR160 4.4 75.4 1.0
C D:ASP158 4.4 1.0 1.0
CA A:ASN30 4.4 59.5 1.0
CB D:THR160 4.5 66.2 1.0
OE2 D:GLU164 4.5 78.2 1.0
ND2 A:ASN30 4.5 57.8 1.0
C A:GLN780 4.6 69.4 1.0
CA D:THR160 4.6 71.4 1.0
N A:GLY781 4.7 65.5 1.0
C D:ILE159 4.8 79.9 1.0
O A:ASN30 4.8 60.5 1.0
O A:GLY781 4.8 58.3 1.0
OE1 D:GLU164 4.8 77.7 1.0
CG A:ARG34 4.8 69.3 1.0
NZ D:LYS49 4.9 86.9 1.0
C D:SER157 4.9 97.0 1.0
N D:ILE159 4.9 79.6 1.0
C A:GLY781 4.9 55.4 1.0

Potassium binding site 10 out of 12 in 6i1l

Go back to Potassium Binding Sites List in 6i1l
Potassium binding site 10 out of 12 in the Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of Crystal Structure of FNCAS12A in Complex with A Crrna Guide and Ssdna Target within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1410

b:0.6
occ:1.00
 NZ D:LYS635 3.5 0.7 1.0
OG D:SER603 3.6 79.4 1.0
O D:HOH1519 3.8 86.5 1.0
NE1 D:TRP175 3.8 89.5 1.0
CE2 D:TRP175 3.9 87.5 1.0
O D:GLU601 4.0 83.2 1.0
O D:GLY174 4.0 0.4 1.0
CZ2 D:TRP175 4.1 88.0 1.0
N D:SER603 4.1 77.0 1.0
CB D:SER603 4.2 81.3 1.0
CE D:LYS635 4.3 0.8 1.0
CD1 D:TRP175 4.4 89.3 1.0
CD2 D:TRP175 4.5 83.9 1.0
CA D:ASN602 4.7 76.3 1.0
CA D:SER603 4.8 80.7 1.0
CH2 D:TRP175 4.8 87.5 1.0
CG D:TRP175 4.8 86.8 1.0
C D:ASN602 4.8 76.7 1.0
C D:GLU601 4.9 80.7 1.0

Reference:

D.C.Swarts, M.Jinek. Mechanistic Insights Into the Cis- and Trans-Acting Dnase Activities of CAS12A. Mol. Cell V. 73 589 2019.
ISSN: ISSN 1097-4164
PubMed: 30639240
DOI: 10.1016/J.MOLCEL.2018.11.021
Page generated: Mon Aug 12 16:36:30 2024

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