Manganese in PDB 1dq4: A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2

The structure of A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2, PDB code: 1dq4 was solved by J.Bouckaert, Y.Dewallef, F.Poortmans, L.Wyns, R.Loris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.890, 85.014, 91.620, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24.6

The binding sites of Manganese atom in the A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2 (pdb code 1dq4). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2, PDB code: 1dq4:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:47.8 occ:1.00 O A:HOH308 2.3 33.8 1.0 NE2 A:HIS24 2.4 47.0 1.0 OE2 A:GLU8 2.6 58.4 1.0 OD1 A:ASP10 3.0 54.4 1.0 CE1 A:HIS24 3.1 42.6 1.0 OE1 A:GLU8 3.3 53.0 1.0 OD2 A:ASP10 3.3 52.7 1.0 CD A:GLU8 3.4 49.2 1.0 CG A:ASP10 3.4 47.4 1.0 CD2 A:HIS24 3.6 47.8 1.0 OG A:SER34 3.8 28.7 1.0 ND1 A:HIS24 4.4 41.6 1.0 O A:VAL32 4.5 39.7 1.0 CG A:HIS24 4.6 38.0 1.0 CB A:ASP10 4.7 40.9 1.0 CG A:GLU8 4.8 44.0 1.0

Manganese binding site 2 out of 4 in the A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:0.0 occ:1.00 OD2 A:ASP80 2.3 68.9 1.0 CB A:ASP82 2.9 64.0 1.0 CG A:ASP80 3.2 60.2 1.0 OD2 A:ASP82 3.2 85.3 1.0 OD1 A:ASP80 3.3 64.9 1.0 CG A:ASP82 3.3 74.3 1.0 CA A:ASP82 4.3 23.1 1.0 ND2 A:ASN83 4.3 57.9 1.0 OD1 A:ASP82 4.3 81.4 1.0 NZ A:LYS59 4.4 65.7 1.0 OD1 A:ASN83 4.5 57.9 1.0 CB A:ASP80 4.6 55.1 1.0 CG A:ASN83 4.6 57.9 1.0 C A:ASP82 4.7 18.6 1.0 N A:ASP82 4.8 25.6 1.0 N A:ASN83 4.8 22.1 1.0

Manganese binding site 3 out of 4 in the A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn303 b:48.0 occ:1.00 NE2 B:HIS24 2.2 52.5 1.0 CE1 B:HIS24 2.9 52.4 1.0 OD1 B:ASP10 2.9 63.3 1.0 OE2 B:GLU8 3.0 50.2 1.0 OD2 B:ASP10 3.3 61.9 1.0 CG B:ASP10 3.4 56.1 1.0 CD2 B:HIS24 3.5 54.8 1.0 OE1 B:GLU8 3.5 56.1 1.0 CD B:GLU8 3.6 45.3 1.0 OG B:SER34 3.9 64.8 1.0 ND1 B:HIS24 4.1 54.8 1.0 CG B:HIS24 4.5 51.7 1.0 O B:VAL32 4.7 59.7 1.0 CB B:ASP10 4.8 47.0 1.0

Manganese binding site 4 out of 4 in the A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of A Transient Unlocked Concanavalin A Structure with MN2+ Bound in the Transition Metal Ion Binding Site S1 and An Empty Calcium Binding Site S2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn304 b:0.0 occ:1.00 OD2 B:ASP80 2.2 79.3 1.0 CB B:ASP82 3.0 81.7 1.0 CG B:ASP80 3.2 69.6 1.0 OD1 B:ASP80 3.5 64.4 1.0 OD2 B:ASP82 3.5 87.3 1.0 CG B:ASP82 3.6 87.3 1.0 ND2 B:ASN83 4.0 70.6 1.0 OD1 B:ASN83 4.3 73.8 1.0 CA B:ASP82 4.3 56.7 1.0 CG B:ASN83 4.4 73.7 1.0 CB B:ASP80 4.6 61.3 1.0 NZ B:LYS59 4.6 82.0 1.0 OD1 B:ASP82 4.6 87.3 1.0 C B:ASP82 4.6 52.4 1.0 N B:ASN83 4.7 30.4 1.0 N B:ASP82 4.9 58.6 1.0

J.Bouckaert, Y.Dewallef, F.Poortmans, L.Wyns, R.Loris. The Structural Features of Concanavalin A Governing Non-Proline Peptide Isomerization J.Biol.Chem. V. 275 19778 2000.
ISSN: ISSN 0021-9258
PubMed: 10748006
DOI: 10.1074/JBC.M001251200