Cobalt in PDB 8dwm: Host-Guest Complex of Bleomycin A2 Fully Bound to Cttagttataactaag

The structure of Host-Guest Complex of Bleomycin A2 Fully Bound to Cttagttataactaag, PDB code: 8dwm was solved by M.M.Georgiadis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.88 / 2.99
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	52.808, 144.292, 49.885, 90, 90, 90
R / Rfree (%)	22.5 / 29.7

The binding sites of Cobalt atom in the Host-Guest Complex of Bleomycin A2 Fully Bound to Cttagttataactaag (pdb code 8dwm). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Host-Guest Complex of Bleomycin A2 Fully Bound to Cttagttataactaag, PDB code: 8dwm:

Cobalt binding site 1 out of 1 in the Host-Guest Complex of Bleomycin A2 Fully Bound to Cttagttataactaag


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Host-Guest Complex of Bleomycin A2 Fully Bound to Cttagttataactaag within 5.0Å range: probe atom residue distance (Å) B Occ B:Co101 b:115.3 occ:1.00 NJ G:BLM101 2.0 82.8 1.0 NB G:BLM101 2.1 78.6 1.0 NG G:BLM101 2.2 83.0 1.0 NH G:BLM101 2.2 79.7 1.0 NC G:BLM101 2.2 90.5 1.0 HB1 G:BLM101 2.4 94.4 1.0 HNK G:BLM101 2.5 85.4 1.0 HB2 G:BLM101 2.6 94.4 1.0 C3 G:BLM101 2.7 81.5 1.0 C2 G:BLM101 2.7 85.8 1.0 H3X G:BLM101 2.7 97.8 1.0 HNC G:BLM101 2.8 108.5 1.0 C29 G:BLM101 2.9 77.4 1.0 H34 G:BLM101 2.9 101.4 1.0 C27 G:BLM101 2.9 80.7 1.0 C10 G:BLM101 3.0 81.4 1.0 C12 G:BLM101 3.0 80.0 1.0 C7 G:BLM101 3.0 90.1 1.0 H2 G:BLM101 3.0 102.9 1.0 H29 G:BLM101 3.1 92.8 1.0 C6 G:BLM101 3.1 91.0 1.0 C13 G:BLM101 3.2 65.3 1.0 NK G:BLM101 3.3 71.2 1.0 C14 G:BLM101 3.5 76.7 1.0 H6 G:BLM101 3.5 109.2 1.0 H3E G:BLM101 3.6 97.8 1.0 C30 G:BLM101 3.7 70.5 1.0 C34 G:BLM101 3.9 84.5 1.0 H13 G:BLM101 4.0 78.3 1.0 OH1 G:BLM101 4.0 85.0 1.0 HCC G:BLM101 4.0 90.0 1.0 C28 G:BLM101 4.0 73.4 1.0 NI G:BLM101 4.1 76.9 1.0 C1 G:BLM101 4.1 93.9 1.0 HNL G:BLM101 4.2 95.1 1.0 O12 G:BLM101 4.2 70.9 1.0 H4' B:DT6 4.3 102.0 1.0 C9 G:BLM101 4.3 83.7 1.0 H33 G:BLM101 4.3 104.5 1.0 NE G:BLM101 4.3 87.0 1.0 H14 G:BLM101 4.3 92.0 1.0 C5 G:BLM101 4.4 88.3 1.0 CC G:BLM101 4.4 75.0 1.0 H5E G:BLM101 4.4 105.9 1.0 C33 G:BLM101 4.5 87.0 1.0 C31 G:BLM101 4.5 72.1 1.0 HCA G:BLM101 4.6 90.0 1.0 H60 G:BLM101 4.6 113.6 1.0 O1 G:BLM101 4.6 86.3 1.0 O70 G:BLM101 4.6 71.7 1.0 H1' B:DT6 4.8 104.0 1.0 C8 G:BLM101 4.8 81.9 1.0 HNI G:BLM101 4.8 92.3 1.0 NL G:BLM101 4.9 79.2 1.0 H28 G:BLM101 4.9 88.1 1.0 C36 G:BLM101 4.9 80.4 1.0 O30 G:BLM101 4.9 77.8 1.0

K.D.Goodwin, M.A.Lewis, E.C.Long, M.M.Georgiadis. Two Distinct Rotations of Bithiazole Dna Intercalation Revealed By Direct Comparison of Crystal Structures of Co(III)•Bleomycin A 2 and B 2 Bound to Duplex 5'-Tagtt Sites. Bioorg.Med.Chem. V. 77 17113 2023.
ISSN: ESSN 1464-3391
PubMed: 36516684
DOI: 10.1016/J.BMC.2022.117113