Manganese in PDB 3s5a: ABH2 Cross-Linked to Undamaged Dsdna-2 with Cofactors

The structure of ABH2 Cross-Linked to Undamaged Dsdna-2 with Cofactors, PDB code: 3s5a was solved by C.Yi, B.Chen, B.Qi, B.Ramirez, W.Zhang, G.Jia, L.Zhang, C.Q.Li, A.R.Dinner, C.-G.Yang, C.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.968, 60.610, 65.588, 90.00, 90.52, 90.00
R / Rfree (%)	19.7 / 23.8

The binding sites of Manganese atom in the ABH2 Cross-Linked to Undamaged Dsdna-2 with Cofactors (pdb code 3s5a). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the ABH2 Cross-Linked to Undamaged Dsdna-2 with Cofactors, PDB code: 3s5a:

Manganese binding site 1 out of 1 in the ABH2 Cross-Linked to Undamaged Dsdna-2 with Cofactors


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of ABH2 Cross-Linked to Undamaged Dsdna-2 with Cofactors within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:22.9 occ:1.00 NE2 A:HIS171 2.1 16.3 1.0 OD1 A:ASP173 2.2 25.3 1.0 O5 A:AKG259 2.2 28.0 1.0 O2 A:AKG259 2.2 26.3 1.0 NE2 A:HIS236 2.2 22.7 1.0 O A:HOH265 2.3 26.6 1.0 C2 A:AKG259 2.9 26.2 1.0 C1 A:AKG259 2.9 26.6 1.0 CE1 A:HIS171 3.1 17.2 1.0 CG A:ASP173 3.1 29.8 1.0 CD2 A:HIS171 3.1 17.9 1.0 CE1 A:HIS236 3.2 22.1 1.0 CD2 A:HIS236 3.2 21.2 1.0 OD2 A:ASP173 3.3 35.2 1.0 O1 A:AKG259 4.1 27.8 1.0 ND1 A:HIS171 4.2 18.7 1.0 CG A:HIS171 4.2 19.1 1.0 ND1 A:HIS236 4.3 19.2 1.0 CG A:HIS236 4.3 19.5 1.0 C3 A:AKG259 4.4 26.1 1.0 CB A:ASP173 4.5 28.3 1.0 NH2 A:ARG254 4.5 34.5 1.0 N A:ASP173 4.6 26.8 1.0 CA A:ASP173 4.8 28.4 1.0 C4 A:AKG259 4.8 26.1 1.0

C.Yi, B.Chen, B.Qi, W.Zhang, G.Jia, L.Zhang, C.J.Li, A.R.Dinner, C.G.Yang, C.He. Duplex Interrogation By A Direct Dna Repair Protein in Search of Base Damage Nat.Struct.Mol.Biol. V. 19 671 2012.
ISSN: ISSN 1545-9993
PubMed: 22659876
DOI: 10.1038/NSMB.2320