Atomistry » Manganese » PDB 3uag-3vnm » 3usu
Atomistry »
  Manganese »
    PDB 3uag-3vnm »
      3usu »

Manganese in PDB 3usu: Crystal Structure of Butea Monosperma Seed Lectin

Protein crystallography data

The structure of Crystal Structure of Butea Monosperma Seed Lectin, PDB code: 3usu was solved by J.Abhilash, K.Geethanandan, S.R.Bharath, C.Sadasivan, M.Haridas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.06 / 2.46
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 78.450, 78.910, 101.850, 74.30, 76.65, 86.88
R / Rfree (%) 20.5 / 28.7

Other elements in 3usu:

The structure of Crystal Structure of Butea Monosperma Seed Lectin also contains other interesting chemical elements:

Calcium (Ca) 8 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Butea Monosperma Seed Lectin (pdb code 3usu). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Crystal Structure of Butea Monosperma Seed Lectin, PDB code: 3usu:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 3usu

Go back to Manganese Binding Sites List in 3usu
Manganese binding site 1 out of 8 in the Crystal Structure of Butea Monosperma Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Butea Monosperma Seed Lectin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn265

b:13.3
occ:1.00
 OE2 A:GLU127 2.0 13.8 1.0
OD1 A:ASP138 2.2 16.3 1.0
O A:HOH284 2.3 4.6 1.0
OD1 A:ASP129 2.3 14.7 1.0
NE2 A:HIS143 2.4 14.9 1.0
O A:HOH257 2.5 5.2 1.0
CE1 A:HIS143 3.1 15.0 1.0
CD A:GLU127 3.2 13.7 1.0
CG A:ASP129 3.3 14.7 1.0
CG A:ASP138 3.3 16.5 1.0
O A:HOH387 3.5 5.7 1.0
CD2 A:HIS143 3.5 15.0 1.0
CB A:ASP129 3.5 14.6 1.0
OD2 A:ASP138 3.7 16.6 1.0
OE1 A:GLU127 3.9 13.3 1.0
OG A:SER153 3.9 15.6 1.0
CA A:CA264 4.1 19.6 1.0
ND1 A:HIS143 4.3 15.0 1.0
CG A:GLU127 4.3 13.7 1.0
OD2 A:ASP129 4.4 15.0 1.0
O A:ILE151 4.4 16.3 1.0
CG A:HIS143 4.5 15.2 1.0
CB A:ASP138 4.6 17.1 1.0
CA A:ASP138 4.8 17.2 1.0
CD A:PRO139 4.9 17.0 1.0

Manganese binding site 2 out of 8 in 3usu

Go back to Manganese Binding Sites List in 3usu
Manganese binding site 2 out of 8 in the Crystal Structure of Butea Monosperma Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Butea Monosperma Seed Lectin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn261

b:13.3
occ:1.00
 NE2 B:HIS143 2.1 14.3 1.0
OE2 B:GLU127 2.1 11.8 1.0
OD2 B:ASP129 2.1 13.9 1.0
O B:HOH363 2.3 5.5 1.0
OD1 B:ASP138 2.3 15.5 1.0
O B:HOH254 2.4 6.7 1.0
CG B:ASP129 3.0 14.1 1.0
CD2 B:HIS143 3.1 14.1 1.0
CE1 B:HIS143 3.1 14.6 1.0
CD B:GLU127 3.3 11.9 1.0
CG B:ASP138 3.3 16.2 1.0
CB B:ASP129 3.3 14.1 1.0
O B:HOH353 3.6 4.5 1.0
OD2 B:ASP138 3.7 16.1 1.0
OE1 B:GLU127 3.9 12.3 1.0
OG B:SER153 4.1 13.3 1.0
CA B:CA260 4.1 15.3 1.0
OD1 B:ASP129 4.2 14.5 1.0
ND1 B:HIS143 4.2 14.7 1.0
CG B:HIS143 4.2 14.5 1.0
CG B:GLU127 4.4 11.7 1.0
O B:ILE151 4.5 14.4 1.0
CB B:ASP138 4.7 16.5 1.0
CA B:ASP129 4.9 14.1 1.0
CD B:PRO139 4.9 15.8 1.0

Manganese binding site 3 out of 8 in 3usu

Go back to Manganese Binding Sites List in 3usu
Manganese binding site 3 out of 8 in the Crystal Structure of Butea Monosperma Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Butea Monosperma Seed Lectin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn267

b:20.2
occ:1.00
 O C:HOH264 2.1 11.9 1.0
OD2 C:ASP129 2.2 18.1 1.0
OD1 C:ASP138 2.2 20.0 1.0
NE2 C:HIS143 2.3 14.7 1.0
O C:HOH271 2.3 15.3 1.0
OE2 C:GLU127 2.4 19.1 1.0
CE1 C:HIS143 3.1 15.5 1.0
CG C:ASP129 3.1 18.6 1.0
CG C:ASP138 3.2 21.0 1.0
CD C:GLU127 3.3 18.7 1.0
CD2 C:HIS143 3.4 15.0 1.0
CB C:ASP129 3.5 17.8 1.0
OD2 C:ASP138 3.5 20.7 1.0
OE1 C:GLU127 3.6 18.9 1.0
O C:HOH354 3.8 18.6 1.0
OG C:SER153 4.0 15.5 1.0
CA C:CA266 4.3 19.7 1.0
OD1 C:ASP129 4.3 18.8 1.0
ND1 C:HIS143 4.3 16.2 1.0
CB C:ASP138 4.4 21.8 1.0
CG C:HIS143 4.5 15.8 1.0
CG C:GLU127 4.6 18.1 1.0
O C:ILE151 4.6 16.9 1.0
CA C:ASP138 4.8 22.1 1.0

Manganese binding site 4 out of 8 in 3usu

Go back to Manganese Binding Sites List in 3usu
Manganese binding site 4 out of 8 in the Crystal Structure of Butea Monosperma Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Butea Monosperma Seed Lectin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn269

b:38.5
occ:1.00
 NE2 D:HIS143 2.1 25.7 1.0
OD2 D:ASP138 2.1 27.7 1.0
O D:HOH246 2.2 12.4 1.0
OE2 D:GLU127 2.3 22.9 1.0
O D:HOH256 2.3 15.3 1.0
OD1 D:ASP129 2.3 29.3 1.0
CD D:GLU127 3.0 22.8 1.0
CE1 D:HIS143 3.0 26.6 1.0
CD2 D:HIS143 3.1 25.5 1.0
OE1 D:GLU127 3.1 23.4 1.0
CG D:ASP129 3.2 28.4 1.0
CG D:ASP138 3.3 28.8 1.0
CB D:ASP129 3.5 26.3 1.0
OD1 D:ASP138 4.0 29.8 1.0
ND1 D:HIS143 4.2 26.9 1.0
CG D:HIS143 4.2 25.9 1.0
OD2 D:ASP129 4.2 28.9 1.0
O D:HOH293 4.3 19.2 1.0
CA D:CA268 4.4 31.7 1.0
CB D:ASP138 4.4 29.2 1.0
CG D:GLU127 4.4 21.8 1.0
O D:ILE151 4.6 24.5 1.0
CB D:SER153 4.7 23.6 1.0
CA D:ASP138 4.8 29.4 1.0

Manganese binding site 5 out of 8 in 3usu

Go back to Manganese Binding Sites List in 3usu
Manganese binding site 5 out of 8 in the Crystal Structure of Butea Monosperma Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of Butea Monosperma Seed Lectin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn263

b:25.6
occ:1.00
 OD2 E:ASP129 2.1 20.0 1.0
OE2 E:GLU127 2.1 15.9 1.0
NE2 E:HIS143 2.2 22.0 1.0
OD2 E:ASP138 2.3 19.8 1.0
O E:HOH258 2.5 12.6 1.0
CG E:ASP129 3.1 20.1 1.0
CD2 E:HIS143 3.1 21.8 1.0
CE1 E:HIS143 3.2 22.5 1.0
CD E:GLU127 3.2 15.4 1.0
CG E:ASP138 3.3 20.3 1.0
CB E:ASP129 3.5 19.0 1.0
OE1 E:GLU127 3.6 15.5 1.0
OD1 E:ASP138 3.8 20.3 1.0
O E:HOH268 4.0 15.8 1.0
CA E:CA262 4.2 20.3 1.0
OD1 E:ASP129 4.2 21.5 1.0
ND1 E:HIS143 4.3 22.6 1.0
CG E:HIS143 4.3 21.8 1.0
OG E:SER153 4.3 20.1 1.0
CB E:ASP138 4.4 21.2 1.0
CG E:GLU127 4.5 15.1 1.0
CA E:ASP138 4.6 21.6 1.0
O E:ILE151 4.6 19.9 1.0
CD E:PRO139 4.8 21.3 1.0

Manganese binding site 6 out of 8 in 3usu

Go back to Manganese Binding Sites List in 3usu
Manganese binding site 6 out of 8 in the Crystal Structure of Butea Monosperma Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of Butea Monosperma Seed Lectin within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn275

b:21.9
occ:1.00
 OD2 F:ASP129 1.8 18.0 1.0
O F:HOH412 2.1 11.0 1.0
OE1 F:GLU127 2.1 15.6 1.0
OD1 F:ASP138 2.1 20.6 1.0
NE2 F:HIS143 2.3 18.8 1.0
O F:HOH358 2.4 9.5 1.0
CG F:ASP129 2.9 17.9 1.0
CD F:GLU127 3.0 15.5 1.0
CE1 F:HIS143 3.0 19.2 1.0
OE2 F:GLU127 3.1 15.7 1.0
CG F:ASP138 3.1 20.7 1.0
OD2 F:ASP138 3.4 20.2 1.0
CD2 F:HIS143 3.4 19.0 1.0
O F:HOH366 3.5 10.9 1.0
CB F:ASP129 3.6 16.8 1.0
CA F:CA274 3.9 23.1 1.0
OD1 F:ASP129 3.9 18.6 1.0
ND1 F:HIS143 4.3 19.5 1.0
OG F:SER153 4.3 17.8 1.0
O F:HOH457 4.3 8.3 1.0
CG F:GLU127 4.4 15.3 1.0
CB F:ASP138 4.4 21.3 1.0
CG F:HIS143 4.5 19.3 1.0
O F:ILE151 4.5 19.5 1.0
CA F:ASP138 4.7 22.0 1.0
CD F:PRO139 4.9 22.8 1.0

Manganese binding site 7 out of 8 in 3usu

Go back to Manganese Binding Sites List in 3usu
Manganese binding site 7 out of 8 in the Crystal Structure of Butea Monosperma Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of Butea Monosperma Seed Lectin within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn271

b:19.7
occ:1.00
 OE2 G:GLU127 2.1 14.4 1.0
NE2 G:HIS143 2.2 16.5 1.0
O G:HOH442 2.2 14.8 1.0
OD1 G:ASP138 2.2 14.9 1.0
OD2 G:ASP129 2.3 15.0 1.0
O G:HOH257 2.4 5.8 1.0
CD G:GLU127 2.9 14.2 1.0
OE1 G:GLU127 3.0 13.7 1.0
CD2 G:HIS143 3.1 16.4 1.0
CE1 G:HIS143 3.2 16.6 1.0
CG G:ASP129 3.3 14.8 1.0
CG G:ASP138 3.3 15.3 1.0
CB G:ASP129 3.5 14.6 1.0
O G:HOH355 3.6 9.0 1.0
OD2 G:ASP138 4.1 15.2 1.0
CA G:CA270 4.2 17.4 1.0
OG G:SER153 4.2 17.3 1.0
CB G:ASP138 4.2 15.6 1.0
CG G:HIS143 4.3 17.0 1.0
ND1 G:HIS143 4.4 17.2 1.0
CG G:GLU127 4.4 14.1 1.0
O G:ILE151 4.4 15.8 1.0
OD1 G:ASP129 4.4 14.8 1.0
CA G:ASP138 4.6 16.1 1.0

Manganese binding site 8 out of 8 in 3usu

Go back to Manganese Binding Sites List in 3usu
Manganese binding site 8 out of 8 in the Crystal Structure of Butea Monosperma Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of Butea Monosperma Seed Lectin within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mn273

b:23.0
occ:1.00
 OD2 H:ASP129 2.1 25.2 1.0
OD1 H:ASP138 2.2 27.6 1.0
OE2 H:GLU127 2.2 19.2 1.0
NE2 H:HIS143 2.2 23.8 1.0
O H:HOH248 2.5 14.7 1.0
CD2 H:HIS143 3.0 23.4 1.0
CG H:ASP138 3.2 29.0 1.0
CD H:GLU127 3.2 19.1 1.0
CG H:ASP129 3.3 24.6 1.0
CE1 H:HIS143 3.3 24.6 1.0
OE1 H:GLU127 3.7 19.1 1.0
CB H:ASP129 3.8 22.7 1.0
OD2 H:ASP138 3.9 28.8 1.0
OG H:SER153 4.1 22.1 1.0
CB H:ASP138 4.2 30.9 1.0
CG H:HIS143 4.3 24.0 1.0
OD1 H:ASP129 4.3 24.7 1.0
ND1 H:HIS143 4.4 25.2 1.0
CA H:CA272 4.4 30.7 1.0
CA H:ASP138 4.5 31.9 1.0
CG H:GLU127 4.5 18.3 1.0
CD H:PRO139 4.6 30.8 1.0
O H:ILE151 4.7 23.0 1.0

Reference:

J.Abhilash, K.Geethanandan, S.R.Bharath, C.Sadasivan, M.Haridas. Crystal Structure of Butea Monosperma Seed Lectin To Be Published.
Page generated: Sat Oct 5 18:08:46 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy