Zinc in PDB 9di4: RMI1-RMI2 Bound to Cyclic Peptide L4

The structure of RMI1-RMI2 Bound to Cyclic Peptide L4, PDB code: 9di4 was solved by R.Bythell-Douglas, Y.H.Lau, L.J.Alcock, T.Gao, C.Deshpande, K.Patel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.17 / 2.70
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	136.298, 136.298, 88.608, 90, 90, 120
R / Rfree (%)	16.9 / 24.8

The binding sites of Zinc atom in the RMI1-RMI2 Bound to Cyclic Peptide L4 (pdb code 9di4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the RMI1-RMI2 Bound to Cyclic Peptide L4, PDB code: 9di4:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the RMI1-RMI2 Bound to Cyclic Peptide L4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of RMI1-RMI2 Bound to Cyclic Peptide L4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:70.4 occ:0.50 OE2 A:GLU548 2.3 67.5 1.0 O A:HOH801 2.4 63.9 1.0 CD A:GLU548 3.1 73.5 1.0 OE1 A:GLU548 3.3 61.8 1.0 O A:HOH806 3.8 60.0 1.0 CG A:GLU548 4.5 56.3 1.0 HG2 A:GLU548 4.6 58.5 1.0 O A:HOH808 4.8 56.0 1.0 HB A:VAL546 4.8 58.4 1.0 HB3 A:ASP547 4.9 49.1 1.0 HG3 A:GLU548 4.9 58.5 1.0

Zinc binding site 2 out of 2 in the RMI1-RMI2 Bound to Cyclic Peptide L4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of RMI1-RMI2 Bound to Cyclic Peptide L4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:98.4 occ:1.00 OE1 B:GLU114 2.2 88.8 1.0 HB2 B:ASP80 2.5 65.8 1.0 O B:HOH313 2.7 52.1 1.0 HB3 B:ASP80 3.2 65.7 1.0 CB B:ASP80 3.2 59.7 1.0 OD2 B:ASP80 3.3 76.6 1.0 CD B:GLU114 3.3 83.8 1.0 HD2 B:ARG73 3.3 85.6 1.0 CG B:ASP80 3.7 95.0 1.0 OE2 B:GLU114 3.8 87.9 1.0 HH21 B:ARG73 4.1 121.0 1.0 CD B:ARG73 4.2 76.0 1.0 HD3 B:ARG73 4.2 85.5 1.0 HB2 B:GLU114 4.2 73.0 1.0 NH2 B:ARG73 4.5 117.5 1.0 CG B:GLU114 4.5 76.5 1.0 CA B:ASP80 4.5 56.7 1.0 H B:ASP80 4.6 60.5 1.0 HG3 B:GLU114 4.7 76.9 1.0 HH22 B:ARG73 4.7 121.2 1.0 CB B:GLU114 4.9 71.8 1.0 C B:ASP80 5.0 54.0 1.0 OD1 B:ASP80 5.0 117.7 1.0

L.J.Alcock, T.Gao, R.Bythell-Douglas, J.Gao, H.Krishna Sudhakar, T.Huang, R.Young, Q.N.Vu, C.Deshpande, L.E.Wilkinson-White, T.Passioura, H.A.Pickett, A.J.Deans, Y.H.Lau. Potent Cyclic Peptide Inhibitors Disrupt the Fancm-Rmi Interaction. J.Med.Chem. 2025.
ISSN: ISSN 0022-2623
PubMed: 40479515
DOI: 10.1021/ACS.JMEDCHEM.5C00365