Bromine in PDB 3en9: Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein

All present enzymatic activity of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein:
3.4.24.57;

The structure of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein, PDB code: 3en9 was solved by D.Neculai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.29 / 2.67
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	148.730, 148.730, 136.420, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 26.4

The structure of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Tantalum	(Ta)	9 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Bromine atom in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein (pdb code 3en9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 19 binding sites of Bromine where determined in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein, PDB code: 3en9:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:61.8 occ:0.70 BR1 B:TBR601 0.0 61.8 0.7 TA1 B:TBR601 2.6 67.2 0.7 TA2 B:TBR601 2.7 59.7 0.7 OE1 B:GLU23 2.8 76.9 1.0 BR2 B:TBR601 3.5 75.8 0.7 BR3 B:TBR601 3.5 70.3 0.7 CD2 B:LEU25 3.6 62.1 1.0 BR5 B:TBR601 3.6 64.7 0.7 CD B:GLU23 3.6 72.9 1.0 BR6 B:TBR601 3.7 57.3 0.7 TA3 B:TBR601 4.0 65.5 0.7 TA5 B:TBR601 4.1 60.6 0.7 CG B:GLU23 4.2 68.8 1.0 OE2 B:GLU23 4.5 71.1 1.0 CG B:LEU25 4.8 62.1 1.0 CD1 B:LEU25 4.9 48.4 1.0

Bromine binding site 2 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:75.8 occ:0.70 BR2 B:TBR601 0.0 75.8 0.7 TA1 B:TBR601 2.6 67.2 0.7 TA3 B:TBR601 2.7 65.5 0.7 OE1 B:GLU23 2.7 76.9 1.0 BR1 B:TBR601 3.5 61.8 0.7 BR5 B:TBR601 3.5 64.7 0.7 BR4 B:TBR601 3.6 69.5 0.7 CD B:GLU23 3.6 72.9 1.0 BRC B:TBR601 3.7 67.7 0.7 OE2 B:GLU23 3.7 71.1 1.0 TA2 B:TBR601 4.0 59.7 0.7 TA6 B:TBR601 4.1 65.9 0.7

Bromine binding site 3 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:70.3 occ:0.70 BR3 B:TBR601 0.0 70.3 0.7 TA1 B:TBR601 2.6 67.2 0.7 TA5 B:TBR601 2.6 60.6 0.7 OE1 B:GLU23 3.2 76.9 1.0 BR1 B:TBR601 3.5 61.8 0.7 CB B:GLU23 3.6 67.3 1.0 BR6 B:TBR601 3.6 57.3 0.7 BRB B:TBR601 3.6 59.1 0.7 OD1 B:ASP21 3.7 73.0 1.0 BR4 B:TBR601 3.7 69.5 0.7 OG1 B:THR19 3.8 63.0 1.0 OD2 B:ASP21 3.8 74.9 1.0 CG B:GLU23 3.9 68.8 1.0 CD B:GLU23 4.0 72.9 1.0 TA2 B:TBR601 4.1 59.7 0.7 CG B:ASP21 4.1 73.2 1.0 TA6 B:TBR601 4.1 65.9 0.7 CG2 B:THR19 4.4 58.6 1.0 CG B:PRO0 4.5 80.2 1.0 CB B:THR19 4.5 60.2 1.0 CA B:GLU23 4.9 65.0 1.0

Bromine binding site 4 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:69.5 occ:0.70 BR4 B:TBR601 0.0 69.5 0.7 TA1 B:TBR601 2.6 67.2 0.7 TA6 B:TBR601 2.7 65.9 0.7 OE1 B:GLU23 3.2 76.9 1.0 BR2 B:TBR601 3.6 75.8 0.7 BRB B:TBR601 3.6 59.1 0.7 BRC B:TBR601 3.6 67.7 0.7 BR3 B:TBR601 3.7 70.3 0.7 CD B:GLU23 3.9 72.9 1.0 TA3 B:TBR601 4.1 65.5 0.7 TA5 B:TBR601 4.1 60.6 0.7 CB B:GLU23 4.3 67.3 1.0 OE2 B:GLU23 4.5 71.1 1.0 CG B:GLU23 4.7 68.8 1.0

Bromine binding site 5 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:64.7 occ:0.70 BR5 B:TBR601 0.0 64.7 0.7 TA2 B:TBR601 2.6 59.7 0.7 TA3 B:TBR601 2.6 65.5 0.7 BR2 B:TBR601 3.5 75.8 0.7 BR1 B:TBR601 3.6 61.8 0.7 BR9 B:TBR601 3.7 67.9 0.7 BRA B:TBR601 3.7 68.9 0.7 TA1 B:TBR601 4.1 67.2 0.7 TA4 B:TBR601 4.1 62.4 0.7

Bromine binding site 6 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:57.3 occ:0.70 BR6 B:TBR601 0.0 57.3 0.7 TA2 B:TBR601 2.6 59.7 0.7 TA5 B:TBR601 2.6 60.6 0.7 CD B:PRO0 3.5 80.6 1.0 BRA B:TBR601 3.6 68.9 0.7 BR7 B:TBR601 3.6 60.4 0.7 BR3 B:TBR601 3.6 70.3 0.7 BR1 B:TBR601 3.7 61.8 0.7 CG B:PRO0 3.7 80.2 1.0 TA4 B:TBR601 4.0 62.4 0.7 TA1 B:TBR601 4.1 67.2 0.7 CA B:ASP-1 4.7 87.6 1.0 N B:PRO0 4.8 81.4 1.0

Bromine binding site 7 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:60.4 occ:0.70 BR7 B:TBR601 0.0 60.4 0.7 TA4 B:TBR601 2.6 62.4 0.7 TA5 B:TBR601 2.7 60.6 0.7 O B:HOH638 3.6 72.9 1.0 BR8 B:TBR601 3.6 72.0 0.7 BRA B:TBR601 3.6 68.9 0.7 BR6 B:TBR601 3.6 57.3 0.7 BRB B:TBR601 3.7 59.1 0.7 TA6 B:TBR601 4.1 65.9 0.7 TA2 B:TBR601 4.1 59.7 0.7

Bromine binding site 8 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:72.0 occ:0.70 BR8 B:TBR601 0.0 72.0 0.7 TA4 B:TBR601 2.6 62.4 0.7 TA6 B:TBR601 2.6 65.9 0.7 BR7 B:TBR601 3.6 60.4 0.7 BRC B:TBR601 3.6 67.7 0.7 BRB B:TBR601 3.6 59.1 0.7 BR9 B:TBR601 3.6 67.9 0.7 TA5 B:TBR601 4.1 60.6 0.7 TA3 B:TBR601 4.1 65.5 0.7

Bromine binding site 9 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:67.9 occ:0.70 BR9 B:TBR601 0.0 67.9 0.7 TA4 B:TBR601 2.6 62.4 0.7 TA3 B:TBR601 2.7 65.5 0.7 BRC B:TBR601 3.6 67.7 0.7 BR8 B:TBR601 3.6 72.0 0.7 BRA B:TBR601 3.7 68.9 0.7 BR5 B:TBR601 3.7 64.7 0.7 TA6 B:TBR601 4.1 65.9 0.7 TA2 B:TBR601 4.1 59.7 0.7

Bromine binding site 10 out of 19 in the Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of the Methanococcus Jannaschii KAE1-BUD32 Fusion Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:68.9 occ:0.70 BRA B:TBR601 0.0 68.9 0.7 TA4 B:TBR601 2.6 62.4 0.7 TA2 B:TBR601 2.7 59.7 0.7 BR6 B:TBR601 3.6 57.3 0.7 BR7 B:TBR601 3.6 60.4 0.7 BR9 B:TBR601 3.7 67.9 0.7 BR5 B:TBR601 3.7 64.7 0.7 TA3 B:TBR601 4.1 65.5 0.7 TA5 B:TBR601 4.1 60.6 0.7

D.Y.Mao, D.Neculai, M.Downey, S.Orlicky, Y.Z.Haffani, D.F.Ceccarelli, J.S.Ho, R.K.Szilard, W.Zhang, C.S.Ho, L.Wan, C.Fares, S.Rumpel, I.Kurinov, C.H.Arrowsmith, D.Durocher, F.Sicheri. Atomic Structure of the Keops Complex: An Ancient Protein Kinase-Containing Molecular Machine. Mol.Cell V. 32 259 2008.
ISSN: ISSN 1097-2765
PubMed: 18951093
DOI: 10.1016/J.MOLCEL.2008.10.002