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Cobalt in PDB 6m4t: U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence

Protein crystallography data

The structure of U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence, PDB code: 6m4t was solved by M.H.Hou, C.M.Chien, R.B.Satange, P.C.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.73 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.204, 62.631, 29.743, 90.00, 121.29, 90.00
R / Rfree (%) 16.5 / 19

Other elements in 6m4t:

The structure of U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence also contains other interesting chemical elements:

Bromine (Br) 4 atoms
Chlorine (Cl) 4 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence (pdb code 6m4t). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence, PDB code: 6m4t:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in 6m4t

Go back to Cobalt Binding Sites List in 6m4t
Cobalt binding site 1 out of 4 in the U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co101

b:20.0
occ:1.00
O D:HOH211 1.9 21.6 1.0
O D:HOH208 2.0 17.1 1.0
O A:HOH215 2.0 20.1 1.0
N7 D:DG8 2.1 16.5 1.0
O A:HOH201 2.1 21.4 1.0
N7 A:DG5 2.2 27.1 1.0
C8 D:DG8 3.0 22.8 1.0
C8 A:DG5 3.1 21.4 1.0
C5 D:DG8 3.2 20.4 1.0
C5 A:DG5 3.3 28.3 1.0
O6 D:DG8 3.6 24.6 1.0
O6 A:DG5 3.7 27.6 1.0
C6 D:DG8 3.8 23.5 1.0
C6 A:DG5 3.9 28.8 1.0
NAH C:F1R101 4.1 25.2 1.0
O C:HOH235 4.3 21.5 1.0
N9 D:DG8 4.3 21.5 1.0
N4 A:DC6 4.3 26.1 1.0
N9 A:DG5 4.3 22.8 1.0
C4 D:DG8 4.4 17.4 1.0
O D:HOH228 4.4 16.4 1.0
O4' D:DT7 4.4 25.3 1.0
C4 A:DG5 4.4 25.5 1.0
NAG C:F1R101 4.5 25.3 1.0
OP1 A:DG5 4.6 27.2 1.0
CAY C:F1R101 4.6 22.5 1.0
O3' D:DT7 4.7 21.2 1.0
O D:HOH225 4.7 24.4 1.0
CAW C:F1R101 4.7 27.5 1.0
OP2 A:DG5 4.8 24.7 1.0
NAC C:F1R101 4.8 21.4 1.0
C4' D:DT7 4.9 23.9 1.0
C1' D:DT7 4.9 25.0 1.0
C5 A:DC6 4.9 21.0 1.0
O A:HOH251 4.9 22.5 1.0
C4 A:DC6 4.9 25.4 1.0

Cobalt binding site 2 out of 4 in 6m4t

Go back to Cobalt Binding Sites List in 6m4t
Cobalt binding site 2 out of 4 in the U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co102

b:17.8
occ:1.00
O A:HOH225 2.0 19.7 1.0
O D:HOH215 2.0 14.6 1.0
O D:HOH203 2.1 15.7 1.0
N7 D:DG5 2.2 17.3 1.0
O B:HOH224 2.3 13.4 1.0
N7 A:DG8 2.3 29.3 1.0
C8 A:DG8 3.0 20.2 1.0
C8 D:DG5 3.0 14.6 1.0
C5 D:DG5 3.4 18.0 1.0
C5 A:DG8 3.5 27.0 1.0
O6 D:DG5 3.8 15.9 1.0
O6 A:DG8 4.0 19.8 1.0
C6 D:DG5 4.0 14.2 1.0
OP2 D:DG5 4.0 21.9 1.0
C6 A:DG8 4.1 20.3 1.0
NAH B:F1R103 4.1 14.1 1.0
O4' A:DT7 4.3 19.0 1.0
O B:HOH235 4.3 16.2 1.0
N9 D:DG5 4.3 14.8 1.0
N9 A:DG8 4.3 22.9 1.0
O A:HOH212 4.4 22.4 1.0
O B:HOH219 4.4 20.7 1.0
OP1 D:DG5 4.4 17.1 1.0
C4 D:DG5 4.5 16.3 1.0
N4 D:DC6 4.6 20.7 1.0
C4 A:DG8 4.6 21.1 1.0
O3' A:DT7 4.6 26.8 1.0
NAG B:F1R103 4.6 16.3 1.0
CAY B:F1R103 4.6 13.1 1.0
C1' A:DT7 4.7 22.7 1.0
C4' A:DT7 4.7 20.1 1.0
P D:DG5 4.7 18.2 1.0
CAW B:F1R103 4.8 18.1 1.0
NAC B:F1R103 4.9 20.6 1.0

Cobalt binding site 3 out of 4 in 6m4t

Go back to Cobalt Binding Sites List in 6m4t
Cobalt binding site 3 out of 4 in the U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co101

b:17.0
occ:1.00
O B:HOH225 1.8 18.1 1.0
O C:HOH216 2.1 20.7 1.0
N7 B:DG5 2.2 18.9 1.0
N7 C:DG8 2.2 20.8 1.0
O B:HOH201 2.2 19.8 1.0
O D:HOH218 2.3 17.6 1.0
C8 C:DG8 2.9 21.8 1.0
C8 B:DG5 3.0 16.0 1.0
C5 B:DG5 3.4 17.1 1.0
C5 C:DG8 3.4 21.2 1.0
O6 B:DG5 3.8 13.3 1.0
C6 B:DG5 4.0 13.6 1.0
O6 C:DG8 4.0 25.1 1.0
O4' C:DT7 4.1 20.8 1.0
C6 C:DG8 4.1 20.8 1.0
N9 C:DG8 4.2 23.1 1.0
O C:HOH220 4.2 26.7 1.0
OP1 B:DG5 4.2 20.0 1.0
N9 B:DG5 4.3 18.9 1.0
NAH D:F1R101 4.3 28.5 1.0
OP2 B:DG5 4.3 19.7 1.0
O D:HOH228 4.4 16.4 1.0
C4 B:DG5 4.4 15.4 1.0
O3' C:DT7 4.4 24.2 1.0
C4 C:DG8 4.5 22.3 1.0
N4 B:DC6 4.5 21.1 1.0
C4' C:DT7 4.5 21.6 1.0
C1' C:DT7 4.5 21.4 1.0
NAC D:F1R101 4.6 26.9 1.0
CAW D:F1R101 4.7 33.9 1.0
P B:DG5 4.7 19.4 1.0
O D:HOH227 5.0 18.4 1.0

Cobalt binding site 4 out of 4 in 6m4t

Go back to Cobalt Binding Sites List in 6m4t
Cobalt binding site 4 out of 4 in the U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of U Shaped Head to Head Four-Way Junction in D(Ttctgctgctgaa) Sequence within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co102

b:19.3
occ:1.00
O B:HOH206 2.0 17.9 1.0
O C:HOH213 2.0 23.7 1.0
N7 B:DG8 2.2 29.1 1.0
O C:HOH207 2.2 26.6 1.0
N7 C:DG5 2.2 18.5 1.0
O C:HOH228 2.2 12.1 1.0
C8 C:DG5 3.1 18.7 1.0
C8 B:DG8 3.1 26.5 1.0
C5 B:DG8 3.3 27.3 1.0
C5 C:DG5 3.4 21.9 1.0
O A:HOH232 3.5 17.4 1.0
O6 B:DG8 3.6 24.3 1.0
O6 C:DG5 3.7 28.6 1.0
C6 B:DG8 3.8 23.1 1.0
C6 C:DG5 3.9 26.9 1.0
NAH A:F1R103 4.0 15.6 1.0
NAG A:F1R103 4.2 12.9 1.0
OP2 C:DG5 4.2 23.2 1.0
N9 B:DG8 4.3 24.2 1.0
N4 C:DC6 4.3 19.7 1.0
N9 C:DG5 4.4 18.2 1.0
CAY A:F1R103 4.4 13.4 1.0
O B:HOH219 4.4 20.7 1.0
C4 B:DG8 4.4 23.9 1.0
C4 C:DG5 4.5 19.6 1.0
OP1 C:DG5 4.5 25.6 1.0
O4' B:DT7 4.7 23.3 1.0
O3' B:DT7 4.7 24.8 1.0
O B:HOH207 4.8 20.4 1.0
P C:DG5 4.8 23.0 1.0
CAW A:F1R103 4.8 15.6 1.0
C5 C:DC6 4.9 19.1 1.0
O A:HOH230 4.9 21.2 1.0
C4 C:DC6 5.0 19.0 1.0
C1' B:DT7 5.0 24.7 1.0

Reference:

C.M.Chien, P.C.Wu, R.Satange, C.C.Chang, Z.L.Lai, L.D.Hagler, S.C.Zimmerman, M.H.Hou. Structural Basis For Targeting T:T Mismatch with Triaminotriazine-Acridine Conjugate Induces A U-Shaped Head-to-Head Four-Way Junction in Ctg Repeat Dna. J.Am.Chem.Soc. V. 142 11165 2020.
ISSN: ESSN 1520-5126
PubMed: 32478511
DOI: 10.1021/JACS.0C03591
Page generated: Sun Jul 13 21:08:00 2025

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