Calcium in PDB 7ui5: Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9

The binding sites of Calcium atom in the Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9 (pdb code 7ui5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9, PDB code: 7ui5:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca200 b:0.0 occ:1.00 HA A:SER23 2.1 0.0 1.0 O A:THR31 2.3 0.0 1.0 OG A:SER23 2.4 0.0 1.0 HG A:SER23 2.4 0.0 1.0 O A:LEU26 2.5 0.0 1.0 O A:SER23 2.5 0.0 1.0 CA A:SER23 2.7 0.0 1.0 O A:HIS28 2.7 0.0 1.0 OE1 A:GLU36 2.7 0.0 1.0 C A:SER23 3.0 0.0 1.0 HD21 A:LEU32 3.0 0.0 1.0 CB A:SER23 3.0 0.0 1.0 OE2 A:GLU36 3.1 0.0 1.0 HA A:LEU32 3.2 0.0 1.0 CD A:GLU36 3.3 0.0 1.0 HB2 A:SER23 3.4 0.0 1.0 HA3 A:GLY27 3.5 0.0 1.0 C A:THR31 3.5 0.0 1.0 C A:LEU26 3.6 0.0 1.0 C A:HIS28 3.8 0.0 1.0 C A:GLY27 3.8 0.0 1.0 H A:THR31 3.9 0.0 1.0 HB3 A:SER23 4.0 0.0 1.0 CA A:GLY27 4.0 0.0 1.0 N A:HIS28 4.0 0.0 1.0 CD2 A:LEU32 4.1 0.0 1.0 O A:GLY27 4.1 0.0 1.0 N A:SER23 4.1 0.0 1.0 CA A:LEU32 4.2 0.0 1.0 HA A:PRO29 4.2 0.0 1.0 H A:HIS28 4.3 0.0 1.0 H A:ASN33 4.3 0.0 1.0 N A:VAL24 4.3 0.0 1.0 N A:LEU32 4.3 0.0 1.0 N A:GLY27 4.3 0.0 1.0 OG1 A:THR31 4.3 0.0 1.0 H A:LEU26 4.4 0.0 1.0 HD22 A:LEU32 4.4 0.0 1.0 O A:TYR22 4.5 0.0 1.0 N A:THR31 4.5 0.0 1.0 HD23 A:LEU32 4.5 0.0 1.0 CA A:THR31 4.5 0.0 1.0 CA A:HIS28 4.6 0.0 1.0 N A:PRO29 4.6 0.0 1.0 HB3 A:LEU26 4.7 0.0 1.0 C A:TYR22 4.7 0.0 1.0 CA A:PRO29 4.7 0.0 1.0 H A:SER23 4.7 0.0 1.0 CA A:LEU26 4.8 0.0 1.0 CG A:GLU36 4.8 0.0 1.0 H A:VAL24 4.8 0.0 1.0 C A:PRO29 4.8 0.0 1.0 O A:PRO29 4.8 0.0 1.0 HG A:LEU26 4.8 0.0 1.0 HG A:LEU32 4.9 0.0 1.0 N A:LEU26 4.9 0.0 1.0 HA A:VAL24 4.9 0.0 1.0 N A:ASN33 4.9 0.0 1.0 HG1 A:THR31 5.0 0.0 1.0 CG A:LEU32 5.0 0.0 1.0

Calcium binding site 2 out of 4 in the Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:0.0 occ:1.00 HB2 A:ASN69 2.5 0.0 1.0 OD1 A:ASP67 2.6 0.0 1.0 O A:GLN73 2.6 0.0 1.0 OD1 A:ASN69 2.8 0.0 1.0 OE1 A:GLU78 2.8 0.0 1.0 OD1 A:ASP71 2.8 0.0 1.0 H A:ASN69 3.0 0.0 1.0 OD2 A:ASP71 3.2 0.0 1.0 HA A:LEU74 3.2 0.0 1.0 CG A:ASP71 3.3 0.0 1.0 CG A:ASP67 3.4 0.0 1.0 CB A:ASN69 3.4 0.0 1.0 OE2 A:GLU78 3.4 0.0 1.0 CG A:ASN69 3.5 0.0 1.0 CD A:GLU78 3.5 0.0 1.0 HG3 A:GLN73 3.5 0.0 1.0 HD21 A:LEU74 3.6 0.0 1.0 HA A:ASP67 3.6 0.0 1.0 C A:GLN73 3.7 0.0 1.0 HG23 A:THR68 3.8 0.0 1.0 H A:SER75 3.8 0.0 1.0 N A:ASN69 3.9 0.0 1.0 OD2 A:ASP67 3.9 0.0 1.0 H A:THR68 4.0 0.0 1.0 H A:ASP71 4.0 0.0 1.0 H A:GLN73 4.2 0.0 1.0 HB3 A:ASN69 4.2 0.0 1.0 CA A:LEU74 4.2 0.0 1.0 CA A:ASN69 4.2 0.0 1.0 CA A:ASP67 4.3 0.0 1.0 CB A:ASP67 4.4 0.0 1.0 N A:LEU74 4.4 0.0 1.0 N A:THR68 4.4 0.0 1.0 CG A:GLN73 4.5 0.0 1.0 N A:SER75 4.5 0.0 1.0 HG2 A:GLN73 4.5 0.0 1.0 CD2 A:LEU74 4.6 0.0 1.0 H A:ALA70 4.6 0.0 1.0 HB2 A:ASP67 4.6 0.0 1.0 HB3 A:SER75 4.6 0.0 1.0 C A:ASP67 4.7 0.0 1.0 HD22 A:LEU74 4.7 0.0 1.0 ND2 A:ASN69 4.7 0.0 1.0 HE21 A:GLN73 4.7 0.0 1.0 C A:LEU74 4.7 0.0 1.0 CG2 A:THR68 4.8 0.0 1.0 CB A:ASP71 4.8 0.0 1.0 CA A:GLN73 4.8 0.0 1.0 HG22 A:THR68 4.9 0.0 1.0 N A:GLN73 4.9 0.0 1.0 C A:ASN69 4.9 0.0 1.0 N A:ASP71 4.9 0.0 1.0 N A:ALA70 5.0 0.0 1.0 CG A:GLU78 5.0 0.0 1.0

Calcium binding site 3 out of 4 in the Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:0.0 occ:1.00 HB2 B:ASN69 2.5 0.0 1.0 OD1 B:ASP67 2.6 0.0 1.0 O B:GLN73 2.6 0.0 1.0 OD1 B:ASN69 2.8 0.0 1.0 OE1 B:GLU78 2.8 0.0 1.0 OD1 B:ASP71 2.8 0.0 1.0 H B:ASN69 3.0 0.0 1.0 OD2 B:ASP71 3.2 0.0 1.0 HA B:LEU74 3.2 0.0 1.0 CG B:ASP71 3.3 0.0 1.0 CG B:ASP67 3.4 0.0 1.0 CB B:ASN69 3.4 0.0 1.0 OE2 B:GLU78 3.4 0.0 1.0 CG B:ASN69 3.5 0.0 1.0 CD B:GLU78 3.5 0.0 1.0 HG3 B:GLN73 3.5 0.0 1.0 HD21 B:LEU74 3.6 0.0 1.0 HA B:ASP67 3.6 0.0 1.0 HG23 B:THR68 3.7 0.0 1.0 C B:GLN73 3.8 0.0 1.0 H B:SER75 3.8 0.0 1.0 N B:ASN69 3.9 0.0 1.0 OD2 B:ASP67 3.9 0.0 1.0 H B:THR68 4.0 0.0 1.0 H B:ASP71 4.0 0.0 1.0 H B:GLN73 4.2 0.0 1.0 HB3 B:ASN69 4.2 0.0 1.0 CA B:LEU74 4.2 0.0 1.0 CA B:ASN69 4.2 0.0 1.0 CA B:ASP67 4.3 0.0 1.0 CB B:ASP67 4.4 0.0 1.0 N B:THR68 4.4 0.0 1.0 N B:LEU74 4.4 0.0 1.0 N B:SER75 4.4 0.0 1.0 CG B:GLN73 4.5 0.0 1.0 HG2 B:GLN73 4.5 0.0 1.0 H B:ALA70 4.6 0.0 1.0 CD2 B:LEU74 4.6 0.0 1.0 HB2 B:ASP67 4.6 0.0 1.0 C B:ASP67 4.6 0.0 1.0 HD22 B:LEU74 4.7 0.0 1.0 ND2 B:ASN69 4.7 0.0 1.0 CG2 B:THR68 4.7 0.0 1.0 HE21 B:GLN73 4.7 0.0 1.0 C B:LEU74 4.7 0.0 1.0 CB B:ASP71 4.8 0.0 1.0 HB2 B:SER75 4.8 0.0 1.0 HG22 B:THR68 4.8 0.0 1.0 CA B:GLN73 4.9 0.0 1.0 N B:GLN73 4.9 0.0 1.0 C B:ASN69 4.9 0.0 1.0 N B:ASP71 4.9 0.0 1.0 N B:ALA70 5.0 0.0 1.0 CG B:GLU78 5.0 0.0 1.0

Calcium binding site 4 out of 4 in the Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:0.0 occ:1.00 HA B:SER23 2.1 0.0 1.0 O B:THR31 2.3 0.0 1.0 OG B:SER23 2.4 0.0 1.0 HG B:SER23 2.4 0.0 1.0 O B:LEU26 2.5 0.0 1.0 O B:SER23 2.5 0.0 1.0 CA B:SER23 2.7 0.0 1.0 OE1 B:GLU36 2.7 0.0 1.0 O B:HIS28 2.7 0.0 1.0 C B:SER23 3.0 0.0 1.0 HD21 B:LEU32 3.0 0.0 1.0 CB B:SER23 3.0 0.0 1.0 OE2 B:GLU36 3.1 0.0 1.0 HA B:LEU32 3.2 0.0 1.0 CD B:GLU36 3.3 0.0 1.0 HB2 B:SER23 3.4 0.0 1.0 HA3 B:GLY27 3.5 0.0 1.0 C B:THR31 3.5 0.0 1.0 C B:LEU26 3.6 0.0 1.0 C B:HIS28 3.8 0.0 1.0 C B:GLY27 3.8 0.0 1.0 H B:THR31 3.9 0.0 1.0 HB3 B:SER23 4.0 0.0 1.0 CA B:GLY27 4.0 0.0 1.0 N B:HIS28 4.0 0.0 1.0 CD2 B:LEU32 4.1 0.0 1.0 O B:GLY27 4.1 0.0 1.0 N B:SER23 4.1 0.0 1.0 CA B:LEU32 4.2 0.0 1.0 HA B:PRO29 4.2 0.0 1.0 H B:HIS28 4.3 0.0 1.0 H B:ASN33 4.3 0.0 1.0 N B:VAL24 4.3 0.0 1.0 N B:LEU32 4.3 0.0 1.0 N B:GLY27 4.3 0.0 1.0 OG1 B:THR31 4.3 0.0 1.0 H B:LEU26 4.4 0.0 1.0 HD22 B:LEU32 4.4 0.0 1.0 O B:TYR22 4.5 0.0 1.0 N B:THR31 4.5 0.0 1.0 CA B:THR31 4.5 0.0 1.0 HD23 B:LEU32 4.5 0.0 1.0 CA B:HIS28 4.6 0.0 1.0 N B:PRO29 4.6 0.0 1.0 HB3 B:LEU26 4.7 0.0 1.0 C B:TYR22 4.7 0.0 1.0 CA B:PRO29 4.7 0.0 1.0 H B:SER23 4.7 0.0 1.0 CA B:LEU26 4.8 0.0 1.0 CG B:GLU36 4.8 0.0 1.0 H B:VAL24 4.8 0.0 1.0 C B:PRO29 4.8 0.0 1.0 O B:PRO29 4.8 0.0 1.0 HG B:LEU26 4.8 0.0 1.0 N B:LEU26 4.9 0.0 1.0 HG B:LEU32 4.9 0.0 1.0 HA B:VAL24 4.9 0.0 1.0 N B:ASN33 4.9 0.0 1.0 HG1 B:THR31 4.9 0.0 1.0 CG B:LEU32 5.0 0.0 1.0

J.L.Harman, P.N.Reardon, S.M.Costello, G.D.Warren, S.R.Phillips, P.J.Connor, S.Marqusee, M.J.Harms. Evolution Avoids A Pathological Stabilizing Interaction in the Immune Protein S100A9. Proc.Natl.Acad.Sci.Usa V. 119 29119 2022.
ISSN: ESSN 1091-6490
PubMed: 36194634
DOI: 10.1073/PNAS.2208029119