Chlorine in PDB 4o0a: Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions

The structure of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions, PDB code: 4o0a was solved by M.D.Feldkamp, A.O.Frank, J.P.Kennedy, A.G.Waterson, E.T.Olejniczak, N.F.Pelz, J.D.Patrone, B.Vangamudi, D.V.Camper, O.W.Rossanese, S.W.Fesik, W.J.Chazin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.95 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.912, 53.582, 53.932, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 17.6

The binding sites of Chlorine atom in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions (pdb code 4o0a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions, PDB code: 4o0a:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:9.3 occ:0.51 CL2 A:2P9201 0.0 9.3 0.5 CL2 A:2P9201 0.5 14.6 0.5 C08 A:2P9201 1.7 11.7 0.5 C08 A:2P9201 1.8 11.7 0.5 HA A:SER55 2.6 11.0 0.4 C07 A:2P9201 2.7 11.3 0.5 C07 A:2P9201 2.7 11.4 0.5 C10 A:2P9201 2.8 10.8 0.5 C10 A:2P9201 2.8 11.7 0.5 HA A:SER55 2.9 10.6 0.6 HG3 A:MET57 2.9 11.7 1.0 HG13 A:VAL93 3.1 15.8 0.8 HG13 A:VAL93 3.1 15.4 0.2 HE2 A:MET57 3.1 15.6 1.0 CL A:2P9201 3.2 11.2 0.5 CL A:2P9201 3.3 14.7 0.5 HG3 A:ARG43 3.3 11.0 1.0 C A:SER55 3.5 8.4 0.6 CA A:SER55 3.5 9.2 0.4 HE A:ARG43 3.6 14.5 1.0 HG22 A:VAL93 3.6 15.9 0.8 HD2 A:ARG43 3.6 13.3 1.0 CA A:SER55 3.6 8.8 0.6 NE A:ARG43 3.6 12.1 1.0 HG22 A:VAL93 3.6 15.8 0.2 O A:SER54 3.7 10.3 1.0 C A:SER55 3.7 6.3 0.4 O A:SER55 3.7 10.4 0.6 H A:PHE56 3.7 9.6 0.4 N A:PHE56 3.7 8.0 1.0 CG A:MET57 3.8 9.8 1.0 H A:PHE56 3.9 9.6 0.6 CG1 A:VAL93 3.9 13.2 0.8 HG11 A:VAL93 3.9 15.8 0.8 CG1 A:VAL93 3.9 12.8 0.2 HB2 A:SER55 3.9 13.8 0.4 HG11 A:VAL93 3.9 15.4 0.2 CD A:ARG43 3.9 11.1 1.0 C06 A:2P9201 4.0 12.5 0.5 O A:PHE56 4.0 7.9 1.0 C06 A:2P9201 4.0 11.2 0.5 CE A:MET57 4.0 12.9 1.0 C12 A:2P9201 4.0 12.7 0.5 C12 A:2P9201 4.1 10.6 0.5 CG A:ARG43 4.1 9.2 1.0 CZ A:ARG43 4.1 13.5 1.0 C A:PHE56 4.1 7.7 1.0 HG2 A:MET57 4.2 11.7 1.0 CB A:SER55 4.3 11.5 0.4 SD A:MET57 4.3 11.2 1.0 HH21 A:ARG43 4.3 17.2 1.0 CG2 A:VAL93 4.3 13.3 0.8 HG21 A:VAL93 4.3 15.9 0.8 HG21 A:VAL93 4.3 15.8 0.2 CG2 A:VAL93 4.3 13.1 0.2 O A:SER55 4.4 5.6 0.4 HB3 A:SER55 4.4 12.7 0.6 NH2 A:ARG43 4.4 14.3 1.0 CA A:PHE56 4.5 7.3 1.0 HE3 A:MET57 4.5 15.6 1.0 C13 A:2P9201 4.5 13.5 0.5 N A:SER55 4.5 8.1 0.4 C A:SER54 4.5 8.6 1.0 C13 A:2P9201 4.5 10.9 0.5 N A:SER55 4.5 8.2 0.6 HG12 A:VAL93 4.6 15.8 0.8 HG12 A:VAL93 4.6 15.4 0.2 HE1 A:MET57 4.6 15.6 1.0 CB A:SER55 4.6 10.5 0.6 HB3 A:SER55 4.6 13.8 0.4 HA A:VAL93 4.6 10.9 0.8 N A:MET57 4.7 7.5 1.0 HA A:VAL93 4.7 11.1 0.2 HG2 A:ARG43 4.7 11.0 1.0 CB A:VAL93 4.7 11.5 0.8 CB A:VAL93 4.7 11.5 0.2 HG A:SER55 4.7 12.8 0.6 HA A:PHE56 4.7 8.8 1.0 HB2 A:ARG43 4.8 11.5 1.0 NH1 A:ARG43 4.8 13.1 1.0 HD3 A:ARG43 4.9 13.3 1.0 HB2 A:MET57 4.9 11.3 1.0 HH11 A:ARG43 4.9 15.8 1.0 CB A:MET57 4.9 9.4 1.0 H A:MET57 4.9 8.9 1.0

Chlorine binding site 2 out of 6 in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.6 occ:0.49 CL2 A:2P9201 0.0 14.6 0.5 CL2 A:2P9201 0.5 9.3 0.5 C08 A:2P9201 1.7 11.7 0.5 C08 A:2P9201 1.7 11.7 0.5 C10 A:2P9201 2.6 10.8 0.5 C07 A:2P9201 2.7 11.3 0.5 HA A:SER55 2.7 11.0 0.4 C10 A:2P9201 2.7 11.7 0.5 C07 A:2P9201 2.7 11.4 0.5 HG13 A:VAL93 2.8 15.8 0.8 HG13 A:VAL93 2.8 15.4 0.2 HA A:SER55 2.9 10.6 0.6 HE2 A:MET57 2.9 15.6 1.0 CL A:2P9201 3.1 14.7 0.5 HG3 A:MET57 3.1 11.7 1.0 CL A:2P9201 3.1 11.2 0.5 HG22 A:VAL93 3.1 15.9 0.8 HG22 A:VAL93 3.2 15.8 0.2 C A:SER55 3.5 8.4 0.6 CA A:SER55 3.5 9.2 0.4 CG1 A:VAL93 3.6 13.2 0.8 HG11 A:VAL93 3.6 15.8 0.8 CG1 A:VAL93 3.6 12.8 0.2 O A:SER55 3.6 10.4 0.6 HG11 A:VAL93 3.6 15.4 0.2 CA A:SER55 3.6 8.8 0.6 C A:SER55 3.7 6.3 0.4 HB2 A:SER55 3.7 13.8 0.4 HG3 A:ARG43 3.8 11.0 1.0 CE A:MET57 3.9 12.9 1.0 CG2 A:VAL93 3.9 13.3 0.8 HG21 A:VAL93 3.9 15.9 0.8 HG21 A:VAL93 3.9 15.8 0.2 CG2 A:VAL93 3.9 13.1 0.2 N A:PHE56 3.9 8.0 1.0 C12 A:2P9201 3.9 12.7 0.5 C06 A:2P9201 4.0 12.5 0.5 H A:PHE56 4.0 9.6 0.4 CG A:MET57 4.0 9.8 1.0 HE A:ARG43 4.0 14.5 1.0 HD2 A:ARG43 4.0 13.3 1.0 NE A:ARG43 4.0 12.1 1.0 O A:SER54 4.0 10.3 1.0 C06 A:2P9201 4.0 11.2 0.5 C12 A:2P9201 4.0 10.6 0.5 H A:PHE56 4.1 9.6 0.6 CB A:SER55 4.2 11.5 0.4 HB3 A:SER55 4.2 12.7 0.6 CB A:VAL93 4.3 11.5 0.8 O A:SER55 4.3 5.6 0.4 HG12 A:VAL93 4.3 15.8 0.8 O A:PHE56 4.3 7.9 1.0 CB A:VAL93 4.3 11.5 0.2 HG12 A:VAL93 4.3 15.4 0.2 HA A:VAL93 4.3 10.9 0.8 C A:PHE56 4.3 7.7 1.0 HE3 A:MET57 4.3 15.6 1.0 SD A:MET57 4.3 11.2 1.0 HA A:VAL93 4.3 11.1 0.2 CD A:ARG43 4.4 11.1 1.0 CZ A:ARG43 4.4 13.5 1.0 HG2 A:MET57 4.4 11.7 1.0 HE1 A:MET57 4.4 15.6 1.0 C13 A:2P9201 4.4 13.5 0.5 CG A:ARG43 4.5 9.2 1.0 CB A:SER55 4.5 10.5 0.6 C13 A:2P9201 4.5 10.9 0.5 HH21 A:ARG43 4.6 17.2 1.0 HB3 A:SER55 4.6 13.8 0.4 CA A:PHE56 4.6 7.3 1.0 N A:SER55 4.7 8.1 0.4 HG A:SER55 4.7 12.8 0.6 NH2 A:ARG43 4.7 14.3 1.0 N A:SER55 4.7 8.2 0.6 HG23 A:VAL93 4.7 15.9 0.8 HG23 A:VAL93 4.7 15.8 0.2 N A:MET57 4.7 7.5 1.0 C A:SER54 4.8 8.6 1.0 HA A:PHE56 4.8 8.8 1.0 CA A:VAL93 4.9 9.1 0.8 HB2 A:MET57 4.9 11.3 1.0 CA A:VAL93 4.9 9.2 0.2 H A:MET57 5.0 8.9 1.0 H A:VAL94 5.0 10.0 0.2 CB A:MET57 5.0 9.4 1.0

Chlorine binding site 3 out of 6 in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.7 occ:0.51 CL A:2P9201 0.0 14.7 0.5 CL A:2P9201 0.6 11.2 0.5 C10 A:2P9201 1.7 10.8 0.5 C10 A:2P9201 1.9 11.7 0.5 C12 A:2P9201 2.7 12.7 0.5 C08 A:2P9201 2.7 11.7 0.5 HG A:SER55 2.8 12.8 0.6 C08 A:2P9201 2.8 11.7 0.5 HG22 A:VAL93 2.9 15.9 0.8 HB2 A:SER55 2.9 13.8 0.4 C12 A:2P9201 2.9 10.6 0.5 HG22 A:VAL93 2.9 15.8 0.2 HA A:SER55 3.0 10.6 0.6 CL2 A:2P9201 3.1 14.6 0.5 HA A:SER55 3.1 11.0 0.4 HB3 A:SER55 3.1 13.8 0.4 CL2 A:2P9201 3.3 9.3 0.5 CB A:SER55 3.3 11.5 0.4 O A:HOH311 3.4 16.4 1.0 HB3 A:SER55 3.4 12.7 0.6 OG A:SER55 3.5 10.6 0.6 CA A:SER55 3.7 9.2 0.4 CB A:SER55 3.7 10.5 0.6 CG2 A:VAL93 3.8 13.3 0.8 CA A:SER55 3.8 8.8 0.6 CG2 A:VAL93 3.8 13.1 0.2 HD2 A:ARG91 3.9 20.6 1.0 HH21 A:ARG43 3.9 17.2 1.0 HG23 A:VAL93 4.0 15.9 0.8 C13 A:2P9201 4.0 13.5 0.5 C07 A:2P9201 4.0 11.3 0.5 C07 A:2P9201 4.1 11.4 0.5 HG21 A:VAL93 4.1 15.9 0.8 NH2 A:ARG43 4.1 14.3 1.0 HG23 A:VAL93 4.1 15.8 0.2 C13 A:2P9201 4.1 10.9 0.5 HG21 A:VAL93 4.2 15.8 0.2 HH22 A:ARG43 4.2 17.2 1.0 HB3 A:ARG91 4.2 16.0 1.0 O A:ARG92 4.2 13.1 1.0 HA A:VAL93 4.4 11.1 0.2 HA A:VAL93 4.4 10.9 0.8 O A:HOH375 4.4 34.3 1.0 HG13 A:VAL93 4.5 15.8 0.8 HG13 A:VAL93 4.5 15.4 0.2 HH21 A:ARG91 4.5 27.5 1.0 C06 A:2P9201 4.5 12.5 0.5 C A:SER55 4.6 8.4 0.6 C06 A:2P9201 4.6 11.2 0.5 CZ A:ARG43 4.6 13.5 1.0 OG A:SER55 4.7 19.9 0.4 N A:SER55 4.7 8.1 0.4 HD11 A:LEU87 4.7 14.5 1.0 HB2 A:SER55 4.7 12.7 0.6 O A:SER55 4.7 10.4 0.6 C A:SER55 4.7 6.3 0.4 N A:SER55 4.7 8.2 0.6 O A:SER54 4.8 10.3 1.0 CB A:VAL93 4.8 11.5 0.8 CD A:ARG91 4.8 17.2 1.0 NH2 A:ARG91 4.9 22.9 1.0 CB A:VAL93 4.9 11.5 0.2 HG A:SER54 4.9 26.0 1.0 HE A:ARG43 4.9 14.5 1.0 NE A:ARG43 5.0 12.1 1.0

Chlorine binding site 4 out of 6 in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:11.2 occ:0.49 CL A:2P9201 0.0 11.2 0.5 CL A:2P9201 0.6 14.7 0.5 C10 A:2P9201 1.7 11.7 0.5 C10 A:2P9201 1.7 10.8 0.5 HG A:SER55 2.7 12.8 0.6 C12 A:2P9201 2.7 10.6 0.5 C12 A:2P9201 2.7 12.7 0.5 C08 A:2P9201 2.7 11.7 0.5 C08 A:2P9201 2.7 11.7 0.5 HA A:SER55 2.8 10.6 0.6 HA A:SER55 2.9 11.0 0.4 HB3 A:SER55 3.1 13.8 0.4 HB2 A:SER55 3.1 13.8 0.4 CL2 A:2P9201 3.1 14.6 0.5 CL2 A:2P9201 3.2 9.3 0.5 HH21 A:ARG43 3.3 17.2 1.0 CB A:SER55 3.4 11.5 0.4 HG22 A:VAL93 3.4 15.9 0.8 OG A:SER55 3.4 10.6 0.6 NH2 A:ARG43 3.5 14.3 1.0 HG22 A:VAL93 3.5 15.8 0.2 HH22 A:ARG43 3.6 17.2 1.0 CA A:SER55 3.6 9.2 0.4 O A:HOH311 3.6 16.4 1.0 HB3 A:SER55 3.6 12.7 0.6 CA A:SER55 3.7 8.8 0.6 CB A:SER55 3.8 10.5 0.6 C07 A:2P9201 4.0 11.3 0.5 C13 A:2P9201 4.0 13.5 0.5 C13 A:2P9201 4.0 10.9 0.5 C07 A:2P9201 4.0 11.4 0.5 HD2 A:ARG91 4.0 20.6 1.0 CZ A:ARG43 4.0 13.5 1.0 O A:HOH375 4.1 34.3 1.0 HG A:SER54 4.3 26.0 1.0 CG2 A:VAL93 4.4 13.3 0.8 O A:SER54 4.4 10.3 1.0 N A:SER55 4.4 8.1 0.4 CG2 A:VAL93 4.4 13.1 0.2 HE A:ARG43 4.4 14.5 1.0 HH21 A:ARG91 4.4 27.5 1.0 C06 A:2P9201 4.5 12.5 0.5 C06 A:2P9201 4.5 11.2 0.5 NE A:ARG43 4.5 12.1 1.0 N A:SER55 4.5 8.2 0.6 O A:HOH416 4.5 30.2 1.0 HB3 A:ARG91 4.6 16.0 1.0 C A:SER55 4.6 8.4 0.6 HG21 A:VAL93 4.6 15.9 0.8 HG23 A:VAL93 4.6 15.9 0.8 O A:ARG92 4.7 13.1 1.0 C A:SER54 4.7 8.6 1.0 HG21 A:VAL93 4.7 15.8 0.2 HG23 A:VAL93 4.7 15.8 0.2 HB2 A:SER55 4.8 12.7 0.6 C A:SER55 4.8 6.3 0.4 OG A:SER55 4.8 19.9 0.4 NH1 A:ARG43 4.8 13.1 1.0 HG13 A:VAL93 4.8 15.8 0.8 NH2 A:ARG91 4.8 22.9 1.0 HH12 A:ARG43 4.8 15.8 1.0 HG13 A:VAL93 4.9 15.4 0.2 O A:HOH419 4.9 36.2 1.0 HA A:VAL93 4.9 11.1 0.2 HA A:VAL93 4.9 10.9 0.8 O A:SER55 4.9 10.4 0.6 H A:SER55 4.9 9.8 0.4 CD A:ARG91 5.0 17.2 1.0

Chlorine binding site 5 out of 6 in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.7 occ:0.51 CL3 A:2P9201 0.0 12.7 0.5 CL3 A:2P9201 0.8 13.2 0.5 C35 A:2P9201 1.6 11.3 0.5 C35 A:2P9201 1.7 12.4 0.5 C34 A:2P9201 2.5 12.1 0.5 C22 A:2P9201 2.6 12.0 0.5 C34 A:2P9201 2.7 11.9 0.5 C22 A:2P9201 2.8 14.2 0.5 N20 A:2P9201 2.8 24.6 0.5 HE3 A:MET57 2.8 15.6 1.0 HE1 A:MET57 2.9 15.6 1.0 HD3 A:ARG41 3.1 8.9 0.4 C21 A:2P9201 3.2 11.3 0.5 HD2 A:ARG41 3.2 8.9 0.4 CE A:MET57 3.3 12.9 1.0 N20 A:2P9201 3.3 7.9 0.5 C21 A:2P9201 3.3 14.4 0.5 CD A:ARG41 3.4 7.4 0.4 NE A:ARG41 3.5 9.0 0.4 HE A:ARG41 3.5 15.1 0.6 HD11 A:ILE95 3.6 16.5 1.0 HD12 A:ILE95 3.6 16.5 1.0 C38 A:2P9201 3.6 12.7 0.5 HD2 A:ARG41 3.7 13.5 0.6 HE A:ARG41 3.7 10.8 0.4 NE A:ARG41 3.7 12.6 0.6 C25 A:2P9201 3.8 11.9 0.5 C23 A:2P9201 3.9 11.8 0.5 SD A:MET57 3.9 11.2 1.0 CZ A:ARG41 3.9 10.6 0.6 CZ A:ARG41 3.9 10.3 0.4 C38 A:2P9201 4.0 14.4 0.5 S37 A:2P9201 4.0 9.6 0.5 C25 A:2P9201 4.0 11.8 0.5 C23 A:2P9201 4.0 14.2 0.5 HG2 A:ARG41 4.0 15.1 0.6 CD1 A:ILE95 4.1 13.8 1.0 O A:HOH415 4.1 31.2 1.0 CD A:ARG41 4.1 11.2 0.6 HE2 A:MET57 4.2 15.6 1.0 HH21 A:ARG41 4.2 16.5 0.6 NH2 A:ARG41 4.2 13.8 0.6 HH21 A:ARG41 4.2 13.1 0.4 C19 A:2P9201 4.2 14.5 0.5 HB2 A:MET57 4.2 11.3 1.0 C18 A:2P9201 4.2 10.8 0.5 NH2 A:ARG41 4.3 10.9 0.4 C24 A:2P9201 4.3 12.3 0.5 C39 A:2P9201 4.3 15.1 0.5 S37 A:2P9201 4.3 21.9 0.5 C19 A:2P9201 4.4 14.2 0.5 C18 A:2P9201 4.4 12.6 0.5 HB3 A:MET57 4.5 11.3 1.0 NH1 A:ARG41 4.5 11.6 0.6 C24 A:2P9201 4.5 15.3 0.5 HD13 A:ILE95 4.6 16.5 1.0 O A:HOH352 4.6 24.5 1.0 NH1 A:ARG41 4.6 9.7 0.4 CG A:ARG41 4.6 12.6 0.6 HH22 A:ARG41 4.7 16.5 0.6 HH11 A:ARG41 4.7 13.9 0.6 C39 A:2P9201 4.7 12.3 0.5 HH11 A:ARG41 4.7 11.7 0.4 CB A:MET57 4.7 9.4 1.0 O A:HOH420 4.8 37.9 1.0 HH22 A:ARG41 4.8 13.1 0.4 C26 A:2P9201 4.9 11.9 0.5 CG A:ARG41 4.9 8.1 0.4 HG11 A:VAL93 4.9 15.8 0.8 HG11 A:VAL93 4.9 15.4 0.2 HH12 A:ARG41 5.0 13.9 0.6 HD13 A:ILE33 5.0 17.9 1.0 CG A:MET57 5.0 9.8 1.0

Chlorine binding site 6 out of 6 in the Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Fragment-Based Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:13.2 occ:0.49 CL3 A:2P9201 0.0 13.2 0.5 CL3 A:2P9201 0.8 12.7 0.5 C35 A:2P9201 1.8 11.3 0.5 C35 A:2P9201 2.1 12.4 0.5 C34 A:2P9201 2.7 12.1 0.5 N20 A:2P9201 2.7 24.6 0.5 C22 A:2P9201 2.8 12.0 0.5 C34 A:2P9201 3.0 11.9 0.5 C22 A:2P9201 3.0 14.2 0.5 N20 A:2P9201 3.1 7.9 0.5 HD2 A:ARG41 3.2 8.9 0.4 C21 A:2P9201 3.2 11.3 0.5 HE A:ARG41 3.3 15.1 0.6 HE1 A:MET57 3.3 15.6 1.0 C38 A:2P9201 3.3 12.7 0.5 HD3 A:ARG41 3.4 8.9 0.4 C21 A:2P9201 3.4 14.4 0.5 HE A:ARG41 3.4 10.8 0.4 NE A:ARG41 3.4 9.0 0.4 O A:HOH415 3.4 31.2 1.0 HE3 A:MET57 3.5 15.6 1.0 CD A:ARG41 3.5 7.4 0.4 C38 A:2P9201 3.7 14.4 0.5 NE A:ARG41 3.7 12.6 0.6 CE A:MET57 3.8 12.9 1.0 HH21 A:ARG41 3.8 16.5 0.6 CZ A:ARG41 3.9 10.6 0.6 CZ A:ARG41 4.0 10.3 0.4 C25 A:2P9201 4.0 11.9 0.5 C19 A:2P9201 4.0 14.5 0.5 NH2 A:ARG41 4.0 13.8 0.6 HD2 A:ARG41 4.0 13.5 0.6 O A:HOH352 4.0 24.5 1.0 HG2 A:ARG41 4.1 15.1 0.6 C18 A:2P9201 4.1 10.8 0.5 C23 A:2P9201 4.1 11.8 0.5 C39 A:2P9201 4.1 15.1 0.5 C19 A:2P9201 4.2 14.2 0.5 C18 A:2P9201 4.2 12.6 0.5 C25 A:2P9201 4.2 11.8 0.5 C23 A:2P9201 4.2 14.2 0.5 SD A:MET57 4.3 11.2 1.0 CD A:ARG41 4.3 11.2 0.6 S37 A:2P9201 4.3 9.6 0.5 HD11 A:ILE95 4.3 16.5 1.0 O A:HOH420 4.3 37.9 1.0 HD12 A:ILE95 4.4 16.5 1.0 C39 A:2P9201 4.5 12.3 0.5 HH11 A:ARG41 4.5 11.7 0.4 NH1 A:ARG41 4.5 9.7 0.4 HH22 A:ARG41 4.5 16.5 0.6 NH2 A:ARG41 4.5 10.9 0.4 HH21 A:ARG41 4.6 13.1 0.4 C24 A:2P9201 4.6 12.3 0.5 S37 A:2P9201 4.6 21.9 0.5 HE2 A:MET57 4.7 15.6 1.0 CG A:ARG41 4.7 12.6 0.6 NH1 A:ARG41 4.7 11.6 0.6 C24 A:2P9201 4.8 15.3 0.5 CD1 A:ILE95 4.8 13.8 1.0 HD13 A:ILE33 4.9 17.9 1.0 HD11 A:ILE33 4.9 17.9 1.0 HB2 A:MET57 5.0 11.3 1.0 HH11 A:ARG41 5.0 13.9 0.6

A.O.Frank, M.D.Feldkamp, J.P.Kennedy, A.G.Waterson, N.F.Pelz, J.D.Patrone, B.Vangamudi, D.V.Camper, O.W.Rossanese, W.J.Chazin, S.W.Fesik. Discovery of A Potent Inhibitor of Replication Protein A Protein-Protein Interactions Using A Fragment-Linking Approach J.Med.Chem. V. 56 9242 2013.
ISSN: ISSN 0022-2623