Cobalt in PDB 2wna: Crystal Structure of the Gna 3'-G(Br)Cgcgc-2'

The structure of Crystal Structure of the Gna 3'-G(Br)Cgcgc-2', PDB code: 2wna was solved by M.K.Schlegel, L.-O.Essen, E.Meggers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 0.97
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	20.420, 42.000, 28.670, 90.00, 90.00, 90.00
R / Rfree (%)	10.503 / 12.726

The structure of Crystal Structure of the Gna 3'-G(Br)Cgcgc-2' also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Magnesium	(Mg)	1 atom

The binding sites of Cobalt atom in the Crystal Structure of the Gna 3'-G(Br)Cgcgc-2' (pdb code 2wna). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of the Gna 3'-G(Br)Cgcgc-2', PDB code: 2wna:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of the Gna 3'-G(Br)Cgcgc-2'


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of the Gna 3'-G(Br)Cgcgc-2' within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1001 b:6.0 occ:0.40 CO A:NCO1001 0.0 6.0 0.4 CO A:NCO1001 0.9 8.9 0.2 N4 A:NCO1001 1.3 8.3 0.2 HN41 A:NCO1001 1.6 9.1 0.0 N5 A:NCO1001 1.7 7.7 0.2 HN52 A:NCO1001 1.9 8.3 0.0 HN43 A:NCO1001 1.9 9.1 0.0 N4 A:NCO1001 2.0 7.7 0.4 N3 A:NCO1001 2.0 7.2 0.4 N5 A:NCO1001 2.0 6.8 0.4 N2 A:NCO1001 2.0 6.1 0.4 N6 A:NCO1001 2.0 5.9 0.4 N1 A:NCO1001 2.0 7.6 0.4 N2 A:NCO1001 2.0 5.2 0.2 HN42 A:NCO1001 2.0 9.1 0.0 N1 A:NCO1001 2.3 9.2 0.2 HN22 A:NCO1001 2.3 6.5 0.0 HN53 A:NCO1001 2.3 8.3 0.0 O A:HOH2050 2.5 14.4 0.5 HN51 A:NCO1001 2.5 8.3 0.0 HN23 A:NCO1001 2.5 6.5 0.0 HN12 A:NCO1001 2.5 10.0 0.0 HN41 A:NCO1001 2.5 7.7 0.0 HN52 A:NCO1001 2.5 6.5 0.0 HN42 A:NCO1001 2.5 7.7 0.0 HN23 A:NCO1001 2.5 6.2 0.0 HN51 A:NCO1001 2.5 6.5 0.0 HN43 A:NCO1001 2.5 7.7 0.0 HN22 A:NCO1001 2.5 6.2 0.0 HN21 A:NCO1001 2.5 6.2 0.0 HN31 A:NCO1001 2.5 7.1 0.0 HN53 A:NCO1001 2.5 6.5 0.0 HN32 A:NCO1001 2.5 7.1 0.0 HN33 A:NCO1001 2.5 7.1 0.0 HN62 A:NCO1001 2.5 5.8 0.0 HN61 A:NCO1001 2.5 5.8 0.0 HN12 A:NCO1001 2.5 7.8 0.0 HN63 A:NCO1001 2.5 5.8 0.0 HN11 A:NCO1001 2.5 7.8 0.0 HN13 A:NCO1001 2.5 7.8 0.0 N3 A:NCO1001 2.6 6.7 0.2 N6 A:NCO1001 2.8 8.4 0.2 HN31 A:NCO1001 2.8 7.3 0.0 HN11 A:NCO1001 2.8 10.0 0.0 HN21 A:NCO1001 2.9 6.5 0.0 HN13 A:NCO1001 3.1 10.0 0.0 HN33 A:NCO1001 3.1 7.3 0.0 HN62 A:NCO1001 3.2 9.2 0.0 HN32 A:NCO1001 3.3 7.3 0.0 HN63 A:NCO1001 3.3 9.2 0.0 HN61 A:NCO1001 3.4 9.2 0.0 O A:HOH2047 3.9 26.1 1.0 O A:HOH2049 4.1 13.5 0.5 O A:HOH2052 4.2 20.1 1.0 O A:HOH2051 4.2 25.4 1.0 O A:HOH2046 4.2 15.4 0.5 H4N1 A:ZCY6 4.7 5.5 1.0 O A:HOH2048 4.8 15.9 0.7 H4N2 A:ZCY6 4.8 5.5 1.0 N4 A:ZCY6 5.0 7.0 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of the Gna 3'-G(Br)Cgcgc-2'


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of the Gna 3'-G(Br)Cgcgc-2' within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1001 b:8.9 occ:0.20 CO A:NCO1001 0.0 8.9 0.2 CO A:NCO1001 0.9 6.0 0.4 N1 A:NCO1001 1.3 7.6 0.4 HN13 A:NCO1001 1.6 7.8 0.0 N6 A:NCO1001 1.8 5.9 0.4 HN63 A:NCO1001 1.9 5.8 0.0 N1 A:NCO1001 2.0 9.2 0.2 N3 A:NCO1001 2.0 6.7 0.2 N5 A:NCO1001 2.0 7.7 0.2 N4 A:NCO1001 2.0 8.3 0.2 N6 A:NCO1001 2.0 8.4 0.2 N2 A:NCO1001 2.0 5.2 0.2 HN11 A:NCO1001 2.0 7.8 0.0 HN12 A:NCO1001 2.0 7.8 0.0 N3 A:NCO1001 2.1 7.2 0.4 N5 A:NCO1001 2.2 6.8 0.4 HN33 A:NCO1001 2.3 7.1 0.0 HN53 A:NCO1001 2.4 6.5 0.0 HN61 A:NCO1001 2.5 5.8 0.0 HN62 A:NCO1001 2.5 5.8 0.0 HN41 A:NCO1001 2.5 9.1 0.0 HN52 A:NCO1001 2.5 8.3 0.0 HN22 A:NCO1001 2.5 6.5 0.0 HN42 A:NCO1001 2.5 9.1 0.0 HN43 A:NCO1001 2.5 9.1 0.0 HN23 A:NCO1001 2.5 6.5 0.0 HN53 A:NCO1001 2.5 8.3 0.0 HN51 A:NCO1001 2.5 8.3 0.0 HN21 A:NCO1001 2.5 6.5 0.0 HN12 A:NCO1001 2.5 10.0 0.0 HN31 A:NCO1001 2.5 7.3 0.0 HN11 A:NCO1001 2.5 10.0 0.0 HN62 A:NCO1001 2.5 9.2 0.0 HN33 A:NCO1001 2.5 7.3 0.0 HN32 A:NCO1001 2.5 7.3 0.0 HN13 A:NCO1001 2.5 10.0 0.0 HN61 A:NCO1001 2.5 9.2 0.0 HN63 A:NCO1001 2.5 9.2 0.0 N4 A:NCO1001 2.6 7.7 0.4 HN32 A:NCO1001 2.6 7.1 0.0 O A:HOH2050 2.7 14.4 0.5 HN51 A:NCO1001 2.7 6.5 0.0 HN43 A:NCO1001 2.8 7.7 0.0 N2 A:NCO1001 2.8 6.1 0.4 HN31 A:NCO1001 2.9 7.1 0.0 HN52 A:NCO1001 3.0 6.5 0.0 O A:HOH2047 3.1 26.1 1.0 HN21 A:NCO1001 3.2 6.2 0.0 HN42 A:NCO1001 3.2 7.7 0.0 HN41 A:NCO1001 3.2 7.7 0.0 HN22 A:NCO1001 3.3 6.2 0.0 HN23 A:NCO1001 3.4 6.2 0.0 O A:HOH2046 3.7 15.4 0.5 O A:HOH2052 3.9 20.1 1.0 O A:HOH2048 4.0 15.9 0.7 O A:HOH2049 4.1 13.5 0.5 O A:HOH2051 4.3 25.4 1.0 H4N2 A:ZCY6 4.9 5.5 1.0 H4N1 A:ZCY6 5.0 5.5 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of the Gna 3'-G(Br)Cgcgc-2'


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of the Gna 3'-G(Br)Cgcgc-2' within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1002 b:9.1 occ:0.55 CO A:NCO1002 0.0 9.1 0.6 HN13 A:NCO1002 0.7 2.8 0.0 N1 A:NCO1002 1.0 2.8 0.3 HN12 A:NCO1002 1.2 2.8 0.0 HN63 A:NCO1002 1.5 8.6 0.0 HN11 A:NCO1002 1.9 2.8 0.0 N5 A:NCO1002 2.0 10.8 0.6 N1 A:NCO1002 2.0 9.6 0.6 N2 A:NCO1002 2.0 10.5 0.6 N4 A:NCO1002 2.0 10.3 0.6 N6 A:NCO1002 2.0 9.8 0.6 N3 A:NCO1002 2.0 11.2 0.6 O A:HOH2054 2.1 10.8 0.5 N6 A:NCO1002 2.1 8.2 0.3 HN51 A:NCO1002 2.5 10.9 0.0 HN52 A:NCO1002 2.5 10.9 0.0 HN53 A:NCO1002 2.5 10.9 0.0 HN23 A:NCO1002 2.5 10.7 0.0 HN22 A:NCO1002 2.5 10.7 0.0 HN21 A:NCO1002 2.5 10.7 0.0 HN12 A:NCO1002 2.5 9.8 0.0 HN41 A:NCO1002 2.5 10.3 0.0 HN61 A:NCO1002 2.5 10.5 0.0 HN13 A:NCO1002 2.5 9.8 0.0 HN42 A:NCO1002 2.5 10.3 0.0 HN63 A:NCO1002 2.5 10.5 0.0 HN62 A:NCO1002 2.5 10.5 0.0 HN43 A:NCO1002 2.5 10.3 0.0 HN11 A:NCO1002 2.5 9.8 0.0 HN32 A:NCO1002 2.5 11.4 0.0 HN31 A:NCO1002 2.5 11.4 0.0 HN33 A:NCO1002 2.5 11.4 0.0 CO A:NCO1002 2.6 7.9 0.3 HN62 A:NCO1002 2.7 8.6 0.0 HN53 A:NCO1002 2.9 8.2 0.0 HN33 A:NCO1002 3.0 8.7 0.0 HN61 A:NCO1002 3.0 8.6 0.0 N5 A:NCO1002 3.3 8.2 0.3 N3 A:NCO1002 3.3 8.9 0.3 O A:HOH2055 3.5 22.7 0.5 O A:HOH2057 3.7 15.9 0.6 HN51 A:NCO1002 3.8 8.2 0.0 HN32 A:NCO1002 3.9 8.7 0.0 HN43 A:NCO1002 3.9 9.1 0.0 N4 A:NCO1002 4.0 9.0 0.3 O6 A:ZGU5 4.1 6.0 1.0 HN52 A:NCO1002 4.1 8.2 0.0 O A:HOH2053 4.1 15.0 0.5 HN31 A:NCO1002 4.2 8.7 0.0 N7 A:ZGU5 4.3 6.0 1.0 N2 A:NCO1002 4.3 4.9 0.3 HN41 A:NCO1002 4.5 9.1 0.0 HN21 A:NCO1002 4.5 4.9 0.0 HN23 A:NCO1002 4.6 4.9 0.0 HN42 A:NCO1002 4.7 9.1 0.0 O A:HOH2058 4.8 46.3 1.0 C6 A:ZGU5 4.9 4.9 1.0 H6 A:ZCY6 4.9 5.8 1.0 C5 A:ZGU5 5.0 4.9 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of the Gna 3'-G(Br)Cgcgc-2'


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of the Gna 3'-G(Br)Cgcgc-2' within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1002 b:7.9 occ:0.35 CO A:NCO1002 0.0 7.9 0.3 HN42 A:NCO1002 0.7 10.3 0.0 HN31 A:NCO1002 1.4 11.4 0.0 N4 A:NCO1002 1.6 10.3 0.6 O A:HOH2053 1.7 15.0 0.5 N2 A:NCO1002 2.0 4.9 0.3 N5 A:NCO1002 2.0 8.2 0.3 N4 A:NCO1002 2.0 9.0 0.3 N6 A:NCO1002 2.0 8.2 0.3 N3 A:NCO1002 2.0 8.9 0.3 N1 A:NCO1002 2.0 2.8 0.3 N3 A:NCO1002 2.2 11.2 0.6 HN43 A:NCO1002 2.2 10.3 0.0 HN22 A:NCO1002 2.3 10.7 0.0 HN41 A:NCO1002 2.3 10.3 0.0 HN22 A:NCO1002 2.5 4.9 0.0 HN43 A:NCO1002 2.5 9.1 0.0 HN31 A:NCO1002 2.5 8.7 0.0 HN42 A:NCO1002 2.5 9.1 0.0 HN21 A:NCO1002 2.5 4.9 0.0 HN33 A:NCO1002 2.5 8.7 0.0 HN41 A:NCO1002 2.5 9.1 0.0 HN32 A:NCO1002 2.5 8.7 0.0 HN23 A:NCO1002 2.5 4.9 0.0 HN52 A:NCO1002 2.5 8.2 0.0 HN53 A:NCO1002 2.5 8.2 0.0 HN61 A:NCO1002 2.5 8.6 0.0 HN63 A:NCO1002 2.5 8.6 0.0 HN51 A:NCO1002 2.5 8.2 0.0 HN11 A:NCO1002 2.5 2.8 0.0 HN62 A:NCO1002 2.5 8.6 0.0 HN12 A:NCO1002 2.5 2.8 0.0 HN13 A:NCO1002 2.5 2.8 0.0 CO A:NCO1002 2.6 9.1 0.6 HN33 A:NCO1002 2.7 11.4 0.0 N2 A:NCO1002 2.8 10.5 0.6 HN32 A:NCO1002 3.0 11.4 0.0 HN11 A:NCO1002 3.4 9.8 0.0 HN21 A:NCO1002 3.4 10.7 0.0 HN23 A:NCO1002 3.6 10.7 0.0 N1 A:NCO1002 3.6 9.6 0.6 O A:HOH2056 3.7 29.1 1.0 O A:HOH2058 3.9 46.3 1.0 O A:HOH2054 3.9 10.8 0.5 HN52 A:NCO1002 4.0 10.9 0.0 N5 A:NCO1002 4.0 10.8 0.6 HN12 A:NCO1002 4.2 9.8 0.0 HN63 A:NCO1002 4.2 10.5 0.0 N6 A:NCO1002 4.3 9.8 0.6 O A:HOH2055 4.3 22.7 0.5 HN13 A:NCO1002 4.4 9.8 0.0 HN53 A:NCO1002 4.6 10.9 0.0 N7 A:ZGU5 4.6 6.0 1.0 HN51 A:NCO1002 4.7 10.9 0.0 HN62 A:NCO1002 4.7 10.5 0.0 H4N1 A:ZCY4 4.8 6.4 1.0 HN61 A:NCO1002 4.8 10.5 0.0

M.K.Schlegel, L.-O.Essen, E.Meggers. Atomic Resolution Duplex Structure of the Simplified Nucleic Acid Gna. Chem.Commun.(Camb.) V. 46 1094 2010.
ISSN: ISSN 1359-7345
PubMed: 20126724
DOI: 10.1039/B916851F