Copper in PDB 9ha0: Crystal Structure of Cu(II)-Bound LMRR_V15BPY Variant Bvs

The structure of Crystal Structure of Cu(II)-Bound LMRR_V15BPY Variant Bvs, PDB code: 9ha0 was solved by A.M.W.H.Thunnissen, R.Jiang, F.Casilli, F.Aalbers, G.Roelfes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.43 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.395, 54.313, 145.734, 90, 90, 90
R / Rfree (%)	19.8 / 23.5

The binding sites of Copper atom in the Crystal Structure of Cu(II)-Bound LMRR_V15BPY Variant Bvs (pdb code 9ha0). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the Crystal Structure of Cu(II)-Bound LMRR_V15BPY Variant Bvs, PDB code: 9ha0:

Copper binding site 1 out of 1 in the Crystal Structure of Cu(II)-Bound LMRR_V15BPY Variant Bvs


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Cu(II)-Bound LMRR_V15BPY Variant Bvs within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu203 b:73.7 occ:1.00 N1 A:BP515 2.0 68.2 1.0 N2 A:BP515 2.0 56.9 1.0 N3 B:IMD201 2.1 77.6 1.0 N3 A:IMD202 2.3 71.8 1.0 OD1 B:ASP100 2.3 77.0 1.0 C3 A:BP515 2.8 61.4 1.0 C6 A:BP515 2.8 60.6 1.0 C2 B:IMD201 3.1 68.5 1.0 C4 A:BP515 3.1 60.9 1.0 C4 B:IMD201 3.1 70.2 1.0 C11 A:BP515 3.1 44.7 1.0 H4 B:IMD201 3.2 84.3 1.0 C2 A:IMD202 3.2 63.8 1.0 H4 A:BP515 3.2 73.1 1.0 H11 A:BP515 3.2 53.7 1.0 H2 B:IMD201 3.2 82.2 1.0 C4 A:IMD202 3.3 70.2 1.0 HD12 B:ILE103 3.3 58.6 1.0 H2 A:IMD202 3.4 76.6 1.0 H4 A:IMD202 3.4 84.2 1.0 CG B:ASP100 3.5 70.6 1.0 HG12 B:VAL99 3.8 58.2 1.0 HD13 B:ILE103 3.9 58.6 1.0 CD1 B:ILE103 4.0 48.8 1.0 HA B:ASP100 4.0 54.3 1.0 C2 A:BP515 4.1 64.0 1.0 C7 A:BP515 4.1 53.1 1.0 OD2 B:ASP100 4.2 77.3 1.0 N1 B:IMD201 4.2 63.9 1.0 HD11 B:ILE103 4.2 58.6 1.0 C5 B:IMD201 4.2 71.2 1.0 C5 A:BP515 4.3 74.2 1.0 N1 A:IMD202 4.4 68.0 1.0 C9 A:BP515 4.4 36.2 1.0 C5 A:IMD202 4.4 64.1 1.0 CG1 B:VAL99 4.7 48.5 1.0 CB B:ASP100 4.7 61.8 1.0 HB3 A:TRP96 4.7 46.9 1.0 CA B:ASP100 4.7 45.2 1.0 C1 A:BP515 4.7 65.0 1.0 C8 A:BP515 4.7 44.0 1.0 H3 A:BP515 4.8 76.9 1.0 HG11 B:VAL99 4.8 58.2 1.0 HN1 B:IMD201 5.0 76.8 1.0

R.Jiang, F.Casilli, A.W.H.Thunnissen, G.Roelfes. An Artificial Copper-Michaelase Featuring A Genetically Encoded Bipyridine Ligand For Asymmetric Additions to Nitroalkenes. Angew.Chem.Int.Ed.Engl. 23182 2025.
ISSN: ESSN 1521-3773
PubMed: 39945539
DOI: 10.1002/ANIE.202423182