Calcium in PDB 1gqm: The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling

The structure of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling, PDB code: 1gqm was solved by O.V.Moroz, A.A.Antson, E.G.Dodson, H.J.Burrel, S.J.Grist, R.M.Lloyd, N.J.Maitland, G.G.Dodson, K.S.Wilson, E.Lukanidin, I.B.Bronstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.875, 100.501, 112.687, 90.00, 94.55, 90.00
R / Rfree (%)	21.7 / 28.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Calcium atom in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling (pdb code 1gqm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 36 binding sites of Calcium where determined in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling, PDB code: 1gqm:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1088 b:23.6 occ:1.00 OE1 A:GLU31 2.2 23.0 1.0 O A:LYS21 2.3 22.4 1.0 O A:THR26 2.4 22.4 1.0 O A:HIS23 2.5 23.5 1.0 O A:SER18 2.5 22.9 1.0 OE2 A:GLU31 2.7 23.9 1.0 CD A:GLU31 2.8 23.4 1.0 C A:THR26 3.5 22.1 1.0 C A:LYS21 3.5 22.5 1.0 C A:SER18 3.6 22.4 1.0 C A:HIS23 3.6 23.3 1.0 N A:HIS23 3.9 22.9 1.0 C A:GLY22 4.0 22.8 1.0 CA A:SER18 4.1 22.1 1.0 N A:LEU27 4.3 21.6 1.0 CA A:LEU27 4.3 21.8 1.0 CG A:GLU31 4.3 21.7 1.0 N A:SER28 4.3 22.2 1.0 N A:LYS21 4.3 22.6 1.0 O A:GLY22 4.3 22.8 1.0 CA A:GLY22 4.3 22.6 1.0 CA A:HIS23 4.4 23.5 1.0 N A:GLY22 4.4 22.3 1.0 OE1 A:GLN67 4.4 24.6 1.0 OG1 A:THR26 4.5 25.7 1.0 N A:THR26 4.5 22.4 1.0 CB A:SER18 4.5 22.4 1.0 CA A:THR26 4.5 22.4 1.0 CA A:LYS21 4.5 22.5 1.0 C A:LEU27 4.6 22.3 1.0 N A:PHE24 4.7 23.1 1.0 N A:VAL19 4.8 21.9 1.0 CA A:PHE24 4.9 22.7 1.0 C A:PHE24 4.9 22.7 1.0 CG A:LYS21 4.9 30.0 0.0 CB A:GLU31 5.0 22.0 1.0

Calcium binding site 2 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1089 b:22.2 occ:1.00 OD1 A:ASP65 2.1 23.1 1.0 O A:GLN67 2.3 22.2 1.0 OE1 A:GLU72 2.4 24.8 1.0 OD1 A:ASN63 2.4 25.1 1.0 OD1 A:ASP61 2.5 24.0 1.0 CG A:ASP65 2.9 23.0 1.0 OE2 A:GLU72 2.9 23.3 1.0 CD A:GLU72 3.0 23.8 1.0 OD2 A:ASP65 3.1 24.9 1.0 CG A:ASN63 3.3 21.6 1.0 C A:GLN67 3.4 22.3 1.0 CG A:ASP61 3.7 22.7 1.0 ND2 A:ASN63 3.7 18.3 1.0 N A:GLN67 4.1 21.9 1.0 CB A:ASP65 4.2 22.3 1.0 CA A:GLN67 4.2 22.2 1.0 N A:VAL68 4.3 22.1 1.0 N A:ASP65 4.3 22.0 1.0 CA A:VAL68 4.4 21.7 1.0 CG A:GLU72 4.4 22.0 1.0 N A:ASP69 4.4 21.9 1.0 CA A:ASP61 4.4 22.2 1.0 OD2 A:ASP69 4.4 23.2 1.0 CB A:ASP61 4.5 22.4 1.0 N A:ASN63 4.5 22.1 1.0 OD2 A:ASP61 4.5 22.4 1.0 CB A:GLN67 4.5 22.4 1.0 CB A:ASN63 4.6 21.6 1.0 C A:ASP61 4.6 22.2 1.0 CA A:ASP65 4.7 22.1 1.0 CG A:ASP69 4.7 24.6 1.0 N A:GLN64 4.8 21.8 1.0 C A:VAL68 4.9 21.8 1.0 N A:ALA62 4.9 22.6 1.0 CA A:ASN63 4.9 21.9 1.0 C A:ASP65 4.9 21.9 1.0

Calcium binding site 3 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1090 b:22.6 occ:1.00 OE1 A:GLN64 2.0 21.3 1.0 OE1 A:GLN58 2.3 22.6 1.0 OE1 D:GLU55 2.5 25.0 1.0 OE2 D:GLU55 2.5 24.8 1.0 CD D:GLU55 2.8 24.3 1.0 CD A:GLN64 3.0 22.9 1.0 NE2 A:GLN64 3.4 23.2 1.0 CD A:GLN58 3.6 21.8 1.0 CG D:GLU55 4.3 23.5 1.0 CG A:GLN64 4.4 21.5 1.0 NE2 A:GLN58 4.4 21.6 1.0 OD2 A:ASP61 4.5 22.4 1.0 OE2 A:GLU66 4.5 22.6 1.0 O A:GLN58 4.6 22.3 1.0 CA A:GLN58 4.6 21.9 1.0 O A:ASP61 4.7 22.1 1.0 CB A:GLN58 4.7 20.9 1.0 CG A:GLN58 4.7 21.7 1.0 CA A:GLN64 4.7 21.8 1.0 CB A:GLN64 4.7 21.6 1.0

Calcium binding site 4 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1089 b:24.4 occ:1.00 O B:LYS21 2.1 22.1 1.0 OE1 B:GLU31 2.2 22.3 1.0 O B:HIS23 2.4 23.7 1.0 O B:THR26 2.5 22.5 1.0 O B:SER18 2.6 22.6 1.0 CD B:GLU31 2.9 23.0 1.0 OE2 B:GLU31 2.9 21.6 1.0 C B:LYS21 3.3 22.5 1.0 C B:HIS23 3.6 23.3 1.0 C B:SER18 3.6 22.4 1.0 C B:THR26 3.7 22.1 1.0 C B:GLY22 3.8 22.8 1.0 N B:HIS23 3.8 23.0 1.0 O B:GLY22 4.1 22.8 1.0 CA B:SER18 4.1 22.1 1.0 CA B:GLY22 4.2 22.6 1.0 N B:GLY22 4.2 22.3 1.0 N B:LYS21 4.2 22.8 1.0 CA B:LYS21 4.3 22.8 1.0 CA B:HIS23 4.3 23.7 1.0 CG B:GLU31 4.3 21.3 1.0 OG1 B:THR26 4.5 22.5 1.0 N B:SER28 4.5 22.1 1.0 N B:THR26 4.5 22.5 1.0 N B:LEU27 4.5 21.8 1.0 CA B:LEU27 4.6 21.8 1.0 CB B:SER18 4.6 21.7 1.0 OE1 B:GLN67 4.6 26.2 1.0 N B:PHE24 4.6 22.9 1.0 CA B:THR26 4.7 22.1 1.0 CA B:PHE24 4.7 22.6 1.0 N B:VAL19 4.7 21.7 1.0 C B:LEU27 4.8 22.4 1.0 O B:HOH2002 4.8 47.3 1.0 C B:PHE24 4.9 22.7 1.0 CB B:HIS23 4.9 24.6 1.0 CB B:LYS21 4.9 23.2 1.0 OG B:SER28 5.0 21.0 1.0

Calcium binding site 5 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1090 b:22.9 occ:1.00 OD1 B:ASN63 2.2 24.1 1.0 OD1 B:ASP65 2.2 22.4 1.0 O B:GLN67 2.2 22.4 1.0 OD1 B:ASP61 2.2 24.3 1.0 O B:HOH2001 2.3 37.4 1.0 OE2 B:GLU72 2.5 24.5 1.0 OE1 B:GLU72 2.5 25.4 1.0 CD B:GLU72 2.9 23.7 1.0 CG B:ASP65 3.1 23.0 1.0 CG B:ASN63 3.2 21.1 1.0 C B:GLN67 3.4 22.6 1.0 CG B:ASP61 3.4 22.4 1.0 OD2 B:ASP65 3.4 23.3 1.0 ND2 B:ASN63 3.6 16.3 1.0 N B:GLN67 4.1 22.3 1.0 CA B:ASP61 4.2 22.3 1.0 CB B:ASP61 4.2 22.6 1.0 OD2 B:ASP61 4.2 22.3 1.0 CA B:GLN67 4.2 22.4 1.0 N B:ASP65 4.3 22.0 1.0 N B:VAL68 4.3 22.2 1.0 CB B:ASP65 4.4 21.5 1.0 CA B:VAL68 4.4 21.6 1.0 N B:ASN63 4.4 22.5 1.0 CG B:GLU72 4.4 20.6 1.0 CB B:GLN67 4.4 21.9 1.0 N B:ASP69 4.4 21.7 1.0 C B:ASP61 4.4 22.4 1.0 CB B:ASN63 4.5 21.7 1.0 N B:ALA62 4.7 22.5 1.0 CA B:ASP65 4.7 21.9 1.0 OD2 B:ASP69 4.7 23.9 1.0 N B:GLN64 4.8 21.6 1.0 CA B:ASN63 4.8 21.9 1.0 C B:VAL68 4.8 21.8 1.0 N B:GLU66 4.9 21.7 1.0 O B:ASP61 4.9 22.3 1.0 CG B:ASP69 4.9 23.9 1.0 C B:ASP65 5.0 21.8 1.0 C B:ASN63 5.0 21.8 1.0

Calcium binding site 6 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1091 b:22.3 occ:1.00 OE1 B:GLN58 2.1 23.8 1.0 OE1 B:GLN64 2.2 22.1 1.0 OE2 F:GLU55 2.4 25.3 1.0 OE1 F:GLU55 2.6 24.1 1.0 CD F:GLU55 2.8 24.9 1.0 CD B:GLN58 3.0 21.9 1.0 CD B:GLN64 3.2 22.9 1.0 NE2 B:GLN58 3.3 22.2 1.0 NE2 B:GLN64 3.4 23.2 1.0 CG F:GLU55 4.3 23.1 1.0 CG B:GLN58 4.4 21.3 1.0 CG B:GLN64 4.6 21.3 1.0 O B:GLN58 4.6 22.3 1.0 CA B:GLN58 4.7 21.8 1.0 CB B:GLN58 4.7 21.1 1.0 OD2 B:ASP61 4.8 22.3 1.0 OE2 B:GLU66 4.9 33.9 1.0 CA B:GLN64 4.9 21.6 1.0 CB B:GLN64 4.9 21.4 1.0

Calcium binding site 7 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1088 b:22.4 occ:1.00 OE1 C:GLN58 2.0 23.6 1.0 OE1 C:GLN64 2.2 21.6 1.0 OE2 B:GLU55 2.2 24.6 1.0 OE1 B:GLU55 2.6 23.3 1.0 CD B:GLU55 2.8 23.9 1.0 CD C:GLN58 3.1 21.9 1.0 CD C:GLN64 3.2 23.6 1.0 NE2 C:GLN64 3.7 23.5 1.0 NE2 C:GLN58 3.8 21.6 1.0 CG B:GLU55 4.2 23.6 1.0 OD2 C:ASP61 4.3 22.1 1.0 CG C:GLN58 4.3 22.0 1.0 CG C:GLN64 4.6 22.1 1.0 O C:GLN58 4.6 22.3 1.0 CB C:GLN58 4.6 21.7 1.0 CA C:GLN58 4.6 21.9 1.0 OE2 C:GLU66 4.7 23.4 1.0 CB C:GLN64 4.8 21.4 1.0 CA C:GLN64 4.8 21.7 1.0 O C:ASP61 4.9 22.5 1.0

Calcium binding site 8 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1089 b:24.6 occ:1.00 OE1 C:GLU31 2.1 22.9 1.0 O C:LYS21 2.2 22.3 1.0 O C:SER18 2.2 22.4 1.0 O C:THR26 2.3 22.1 1.0 O C:HIS23 2.4 23.5 1.0 CD C:GLU31 2.8 22.4 1.0 OE2 C:GLU31 2.9 22.5 1.0 C C:SER18 3.3 22.3 1.0 C C:LYS21 3.4 22.6 1.0 C C:THR26 3.5 21.9 1.0 C C:HIS23 3.6 23.3 1.0 CA C:SER18 3.9 22.2 1.0 N C:HIS23 4.0 23.1 1.0 N C:LYS21 4.1 22.6 1.0 C C:GLY22 4.2 22.9 1.0 CG C:GLU31 4.3 21.3 1.0 CA C:LYS21 4.3 22.6 1.0 CA C:HIS23 4.3 23.5 1.0 CA C:LEU27 4.3 21.9 1.0 N C:GLY22 4.3 22.5 1.0 N C:LEU27 4.4 21.8 1.0 N C:SER28 4.4 22.1 1.0 N C:VAL19 4.5 21.9 1.0 CA C:GLY22 4.5 22.6 1.0 CB C:SER18 4.5 22.4 1.0 N C:THR26 4.5 22.7 1.0 CA C:THR26 4.5 22.3 1.0 OE1 C:GLN67 4.6 25.3 1.0 N C:PHE24 4.6 23.1 1.0 OG1 C:THR26 4.6 22.5 1.0 O C:GLY22 4.7 22.9 1.0 C C:LEU27 4.7 22.3 1.0 CA C:VAL19 4.8 21.8 1.0 CA C:PHE24 4.8 22.8 1.0 C C:PHE24 4.9 22.9 1.0 CB C:LYS21 4.9 22.6 1.0 O C:PHE24 4.9 22.7 1.0 C C:VAL19 4.9 21.8 1.0 CB C:HIS23 4.9 23.8 1.0 N C:ARG20 5.0 22.1 1.0 O C:TYR17 5.0 22.6 1.0

Calcium binding site 9 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1090 b:22.5 occ:1.00 OE1 C:GLU72 2.2 24.3 1.0 O C:GLN67 2.3 22.5 1.0 OD1 C:ASP61 2.3 24.3 1.0 OD1 C:ASN63 2.5 25.1 1.0 OD1 C:ASP65 2.6 22.9 1.0 OE2 C:GLU72 2.8 24.2 1.0 CD C:GLU72 2.8 24.1 1.0 OD2 C:ASP65 3.0 24.0 1.0 CG C:ASP65 3.1 23.0 1.0 CG C:ASP61 3.4 23.1 1.0 C C:GLN67 3.5 22.3 1.0 CG C:ASN63 3.6 21.3 1.0 CA C:ASP61 3.8 22.3 1.0 CB C:ASP61 4.0 22.4 1.0 C C:ASP61 4.2 22.5 1.0 N C:GLN67 4.2 22.2 1.0 CG C:GLU72 4.2 21.6 1.0 ND2 C:ASN63 4.2 17.7 1.0 N C:ASP65 4.2 22.0 1.0 N C:ASN63 4.3 22.2 1.0 CA C:GLN67 4.4 22.4 1.0 CA C:VAL68 4.4 21.7 1.0 OD2 C:ASP61 4.4 22.1 1.0 N C:VAL68 4.4 22.0 1.0 N C:ALA62 4.4 22.6 1.0 CB C:ASP65 4.4 21.6 1.0 N C:ASP69 4.5 21.9 1.0 CB C:GLN67 4.6 22.2 1.0 N C:GLN64 4.7 21.9 1.0 CB C:ASN63 4.8 21.9 1.0 O C:ASP61 4.8 22.5 1.0 CA C:ASP65 4.8 22.1 1.0 OD2 C:ASP69 4.9 23.5 1.0 O C:LEU60 4.9 22.6 1.0 CA C:ASN63 4.9 21.8 1.0 C C:VAL68 5.0 21.9 1.0 N C:ASP61 5.0 22.4 1.0

Calcium binding site 10 out of 36 in the The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1091 b:23.4 occ:1.00 OE1 F:GLN64 2.0 21.8 1.0 OE1 F:GLN58 2.2 22.6 1.0 OE2 C:GLU55 2.3 25.3 1.0 OE1 C:GLU55 2.6 24.8 1.0 CD C:GLU55 2.7 25.1 1.0 CD F:GLN64 2.9 22.6 1.0 NE2 F:GLN64 3.2 22.6 1.0 CD F:GLN58 3.5 22.7 1.0 CG C:GLU55 4.2 22.8 1.0 NE2 F:GLN58 4.3 22.7 1.0 O F:HOH2002 4.3 83.2 1.0 CG F:GLN64 4.4 21.4 1.0 CG F:GLN58 4.6 22.3 1.0 O F:GLN58 4.6 22.8 1.0 CB F:GLN58 4.7 20.4 1.0 CA F:GLN58 4.7 21.8 1.0 OD2 F:ASP61 4.7 22.8 1.0 CB F:GLN64 4.8 21.2 1.0 CA F:GLN64 4.8 21.5 1.0 OE2 F:GLU66 4.9 31.6 1.0 O F:ASP61 4.9 22.1 1.0

O.V.Moroz, A.A.Antson, E.J.Dodson, H.J.Burrell, S.J.Grist, R.M.Lloyd, N.J.Maitland, G.G.Dodson, K.S.Wilson, E.Lukanidin, I.B.Bronstein. The Structure of S100A12 in A Hexameric Form and Its Proposed Role in Receptor Signalling Acta Crystallogr.,Sect.D V. 58 407 2002.
ISSN: ISSN 0907-4449
PubMed: 11856825
DOI: 10.1107/S0907444901021278