Atomistry » Manganese » PDB 117e-1cev » 1bjq
Atomistry »
  Manganese »
    PDB 117e-1cev »
      1bjq »

Manganese in PDB 1bjq: The Dolichos Biflorus Seed Lectin in Complex with Adenine

Protein crystallography data

The structure of The Dolichos Biflorus Seed Lectin in Complex with Adenine, PDB code: 1bjq was solved by T.W.Hamelryck, R.Loris, J.Bouckaert, M.H.Dao-Thi, L.Wyns, M.Etzler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.377, 116.135, 224.620, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 24.6

Other elements in 1bjq:

The structure of The Dolichos Biflorus Seed Lectin in Complex with Adenine also contains other interesting chemical elements:

Calcium (Ca) 8 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the The Dolichos Biflorus Seed Lectin in Complex with Adenine (pdb code 1bjq). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the The Dolichos Biflorus Seed Lectin in Complex with Adenine, PDB code: 1bjq:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 1bjq

Go back to Manganese Binding Sites List in 1bjq
Manganese binding site 1 out of 8 in the The Dolichos Biflorus Seed Lectin in Complex with Adenine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Dolichos Biflorus Seed Lectin in Complex with Adenine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:45.7
occ:1.00
 OD2 A:ASP125 2.4 10.7 1.0
OD1 A:ASP133 2.4 19.7 1.0
OE2 A:GLU123 2.5 14.6 1.0
NE2 A:HIS138 2.5 12.8 1.0
CD A:GLU123 3.2 12.4 1.0
OE1 A:GLU123 3.2 12.6 1.0
CG A:ASP133 3.4 19.3 1.0
CE1 A:HIS138 3.5 11.5 1.0
CG A:ASP125 3.5 10.4 1.0
CD2 A:HIS138 3.5 12.4 1.0
OG A:SER148 3.6 12.9 1.0
OD2 A:ASP133 3.8 20.3 1.0
CB A:ASP125 3.9 8.9 1.0
O A:ILE146 4.1 14.4 1.0
CA A:CA301 4.4 12.9 1.0
CD1 A:TRP132 4.5 10.2 1.0
NE1 A:TRP132 4.6 11.2 1.0
OD1 A:ASP125 4.6 13.2 1.0
CG A:GLU123 4.6 11.3 1.0
CB A:ASP133 4.6 18.1 1.0
ND1 A:HIS138 4.6 12.7 1.0
CD A:PRO134 4.6 20.6 1.0
CG A:HIS138 4.7 12.4 1.0
CA A:ASP133 4.9 18.1 1.0
CB A:SER148 5.0 11.9 1.0

Manganese binding site 2 out of 8 in 1bjq

Go back to Manganese Binding Sites List in 1bjq
Manganese binding site 2 out of 8 in the The Dolichos Biflorus Seed Lectin in Complex with Adenine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Dolichos Biflorus Seed Lectin in Complex with Adenine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn302

b:46.2
occ:1.00
 OD2 B:ASP125 2.3 17.0 1.0
OD1 B:ASP133 2.4 25.2 1.0
NE2 B:HIS138 2.4 11.4 1.0
OE2 B:GLU123 2.5 15.8 1.0
CD B:GLU123 3.2 15.5 1.0
CG B:ASP133 3.3 25.4 1.0
CE1 B:HIS138 3.3 10.3 1.0
OE1 B:GLU123 3.3 14.2 1.0
CG B:ASP125 3.4 16.6 1.0
CD2 B:HIS138 3.4 11.1 1.0
OD2 B:ASP133 3.7 25.4 1.0
OG B:SER148 3.7 7.4 1.0
CB B:ASP125 3.8 16.9 1.0
O B:ILE146 4.2 11.1 1.0
CA B:CA301 4.4 19.9 1.0
OD1 B:ASP125 4.5 18.1 1.0
ND1 B:HIS138 4.5 11.2 1.0
CB B:ASP133 4.6 24.1 1.0
CD1 B:TRP132 4.6 13.6 1.0
CG B:HIS138 4.6 11.5 1.0
CD B:PRO134 4.6 26.9 1.0
NE1 B:TRP132 4.6 12.9 1.0
CG B:GLU123 4.7 14.3 1.0
CA B:ASP133 4.8 25.1 1.0

Manganese binding site 3 out of 8 in 1bjq

Go back to Manganese Binding Sites List in 1bjq
Manganese binding site 3 out of 8 in the The Dolichos Biflorus Seed Lectin in Complex with Adenine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of The Dolichos Biflorus Seed Lectin in Complex with Adenine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn302

b:41.5
occ:1.00
 OD2 C:ASP125 2.4 11.8 1.0
OD1 C:ASP133 2.4 22.9 1.0
NE2 C:HIS138 2.4 22.9 1.0
OE2 C:GLU123 2.5 15.8 1.0
CD C:GLU123 3.2 14.5 1.0
OE1 C:GLU123 3.3 15.9 1.0
CG C:ASP133 3.4 21.6 1.0
CE1 C:HIS138 3.4 22.0 1.0
CG C:ASP125 3.4 13.2 1.0
CD2 C:HIS138 3.4 22.8 1.0
OG C:SER148 3.6 14.4 1.0
OD2 C:ASP133 3.8 19.2 1.0
CB C:ASP125 3.8 14.0 1.0
O C:ILE146 4.1 17.1 1.0
CA C:CA301 4.5 19.2 1.0
ND1 C:HIS138 4.5 21.6 1.0
CD1 C:TRP132 4.6 16.6 1.0
OD1 C:ASP125 4.6 13.7 1.0
CB C:ASP133 4.6 23.2 1.0
CD C:PRO134 4.6 29.4 1.0
CG C:HIS138 4.6 22.8 1.0
CG C:GLU123 4.6 13.6 1.0
NE1 C:TRP132 4.6 15.8 1.0
CA C:ASP133 4.8 24.6 1.0
CB C:SER148 5.0 13.9 1.0

Manganese binding site 4 out of 8 in 1bjq

Go back to Manganese Binding Sites List in 1bjq
Manganese binding site 4 out of 8 in the The Dolichos Biflorus Seed Lectin in Complex with Adenine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of The Dolichos Biflorus Seed Lectin in Complex with Adenine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn302

b:46.1
occ:1.00
 NE2 D:HIS138 2.3 16.4 1.0
OD2 D:ASP125 2.3 9.1 1.0
OD1 D:ASP133 2.4 20.0 1.0
OE2 D:GLU123 2.5 18.7 1.0
CE1 D:HIS138 3.2 15.0 1.0
CG D:ASP133 3.3 19.5 1.0
CD D:GLU123 3.3 16.6 1.0
CD2 D:HIS138 3.3 16.8 1.0
CG D:ASP125 3.4 10.2 1.0
OE1 D:GLU123 3.4 17.4 1.0
OD2 D:ASP133 3.7 17.4 1.0
CB D:ASP125 3.7 12.2 1.0
OG D:SER148 3.8 8.7 1.0
O D:ILE146 4.3 10.6 1.0
ND1 D:HIS138 4.4 14.7 1.0
CG D:HIS138 4.5 16.2 1.0
CD D:PRO134 4.5 26.3 1.0
CB D:ASP133 4.5 19.5 1.0
OD1 D:ASP125 4.5 12.1 1.0
CA D:CA301 4.5 11.1 1.0
CD1 D:TRP132 4.6 6.0 1.0
NE1 D:TRP132 4.7 5.2 1.0
CG D:GLU123 4.7 15.5 1.0
CA D:ASP133 4.8 19.9 1.0

Manganese binding site 5 out of 8 in 1bjq

Go back to Manganese Binding Sites List in 1bjq
Manganese binding site 5 out of 8 in the The Dolichos Biflorus Seed Lectin in Complex with Adenine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of The Dolichos Biflorus Seed Lectin in Complex with Adenine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn302

b:52.6
occ:1.00
 OD1 E:ASP133 2.3 28.0 1.0
OD2 E:ASP125 2.4 19.1 1.0
NE2 E:HIS138 2.5 25.0 1.0
OE2 E:GLU123 2.6 28.1 1.0
CD E:GLU123 3.3 25.1 1.0
CG E:ASP133 3.3 28.6 1.0
OE1 E:GLU123 3.3 25.4 1.0
CE1 E:HIS138 3.4 25.1 1.0
CG E:ASP125 3.5 19.1 1.0
CD2 E:HIS138 3.5 25.0 1.0
OD2 E:ASP133 3.7 29.4 1.0
OG E:SER148 3.7 20.8 1.0
CB E:ASP125 3.9 18.2 1.0
O E:ILE146 4.1 20.1 1.0
CA E:CA301 4.4 28.3 1.0
CD1 E:TRP132 4.4 24.2 1.0
CB E:ASP133 4.5 29.9 1.0
NE1 E:TRP132 4.5 22.5 1.0
OD1 E:ASP125 4.6 19.4 1.0
CD E:PRO134 4.6 32.8 1.0
ND1 E:HIS138 4.6 25.4 1.0
CG E:HIS138 4.6 25.2 1.0
CG E:GLU123 4.7 23.6 1.0
CA E:ASP133 4.8 30.6 1.0

Manganese binding site 6 out of 8 in 1bjq

Go back to Manganese Binding Sites List in 1bjq
Manganese binding site 6 out of 8 in the The Dolichos Biflorus Seed Lectin in Complex with Adenine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of The Dolichos Biflorus Seed Lectin in Complex with Adenine within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn302

b:64.0
occ:1.00
 OD1 F:ASP133 2.4 35.7 1.0
NE2 F:HIS138 2.4 34.8 1.0
OE2 F:GLU123 2.5 35.5 1.0
OD2 F:ASP125 2.6 30.0 1.0
CD F:GLU123 3.3 33.0 1.0
OE1 F:GLU123 3.3 33.2 1.0
CG F:ASP133 3.4 35.7 1.0
CD2 F:HIS138 3.4 34.0 1.0
CE1 F:HIS138 3.5 33.0 1.0
OG F:SER148 3.5 18.2 1.0
CG F:ASP125 3.7 32.4 1.0
OD2 F:ASP133 3.9 35.0 1.0
CB F:ASP125 4.0 31.1 1.0
O F:ILE146 4.0 22.0 1.0
CA F:CA301 4.4 36.9 1.0
CD F:PRO134 4.5 39.1 1.0
CD1 F:TRP132 4.5 33.7 1.0
CB F:ASP133 4.6 35.7 1.0
ND1 F:HIS138 4.6 34.2 1.0
CG F:HIS138 4.6 33.7 1.0
CG F:GLU123 4.6 32.9 1.0
NE1 F:TRP132 4.7 33.1 1.0
CA F:ASP133 4.8 38.1 1.0
OD1 F:ASP125 4.8 33.0 1.0
CB F:SER148 4.8 19.6 1.0
N F:SER148 4.9 24.0 1.0

Manganese binding site 7 out of 8 in 1bjq

Go back to Manganese Binding Sites List in 1bjq
Manganese binding site 7 out of 8 in the The Dolichos Biflorus Seed Lectin in Complex with Adenine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of The Dolichos Biflorus Seed Lectin in Complex with Adenine within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn302

b:67.6
occ:1.00
 OD1 G:ASP133 2.4 45.9 1.0
OD2 G:ASP125 2.5 26.5 1.0
OE2 G:GLU123 2.6 33.8 1.0
NE2 G:HIS138 2.7 40.7 1.0
OE1 G:GLU123 3.2 34.1 1.0
CD G:GLU123 3.2 32.8 1.0
CG G:ASP133 3.4 45.3 1.0
CG G:ASP125 3.6 28.2 1.0
OG G:SER148 3.6 26.1 1.0
CE1 G:HIS138 3.6 41.1 1.0
CD2 G:HIS138 3.7 39.5 1.0
OD2 G:ASP133 3.8 46.0 1.0
O G:ILE146 3.9 30.7 1.0
CB G:ASP125 4.0 29.1 1.0
CD1 G:TRP132 4.3 40.2 1.0
NE1 G:TRP132 4.4 40.5 1.0
CA G:CA301 4.5 59.0 1.0
CB G:ASP133 4.6 44.5 1.0
CG G:GLU123 4.7 32.3 1.0
OD1 G:ASP125 4.7 27.6 1.0
CD G:PRO134 4.7 45.1 1.0
ND1 G:HIS138 4.8 40.0 1.0
CA G:ASP133 4.9 43.7 1.0
CG G:HIS138 4.9 39.3 1.0
CB G:SER148 5.0 25.0 1.0

Manganese binding site 8 out of 8 in 1bjq

Go back to Manganese Binding Sites List in 1bjq
Manganese binding site 8 out of 8 in the The Dolichos Biflorus Seed Lectin in Complex with Adenine


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of The Dolichos Biflorus Seed Lectin in Complex with Adenine within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mn302

b:45.7
occ:1.00
 OD2 H:ASP125 2.3 12.1 1.0
OD1 H:ASP133 2.3 27.3 1.0
NE2 H:HIS138 2.3 16.6 1.0
OE2 H:GLU123 2.6 19.2 1.0
CG H:ASP133 3.2 28.1 1.0
CE1 H:HIS138 3.3 15.0 1.0
CD H:GLU123 3.3 17.3 1.0
CG H:ASP125 3.4 12.7 1.0
OE1 H:GLU123 3.4 17.0 1.0
CD2 H:HIS138 3.4 16.2 1.0
OD2 H:ASP133 3.6 27.0 1.0
OG H:SER148 3.8 16.6 1.0
CB H:ASP125 3.8 12.8 1.0
O H:ILE146 4.2 15.3 1.0
CA H:CA301 4.4 29.9 1.0
CB H:ASP133 4.4 28.9 1.0
ND1 H:HIS138 4.4 15.4 1.0
OD1 H:ASP125 4.5 13.2 1.0
CD H:PRO134 4.5 32.5 1.0
CD1 H:TRP132 4.5 22.3 1.0
CG H:HIS138 4.5 16.2 1.0
NE1 H:TRP132 4.6 22.5 1.0
CA H:ASP133 4.7 30.2 1.0
CG H:GLU123 4.8 15.4 1.0

Reference:

T.W.Hamelryck, R.Loris, J.Bouckaert, M.H.Dao-Thi, G.Strecker, A.Imberty, E.Fernandez, L.Wyns, M.E.Etzler. Carbohydrate Binding, Quaternary Structure and A Novel Hydrophobic Binding Site in Two Legume Lectin Oligomers From Dolichos Biflorus. J.Mol.Biol. V. 286 1161 1999.
ISSN: ISSN 0022-2836
PubMed: 10047489
DOI: 10.1006/JMBI.1998.2534
Page generated: Sat Oct 5 09:47:05 2024

Last articles

Cl in 4BO5
Cl in 4BPJ
Cl in 4BPM
Cl in 4BO1
Cl in 4BNV
Cl in 4BNX
Cl in 4BMJ
Cl in 4BN7
Cl in 4BNK
Cl in 4BMO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy