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Manganese in PDB 6rbi: Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol

Protein crystallography data

The structure of Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol, PDB code: 6rbi was solved by C.Johansson, J.A.Newman, A.Kawamura, C.J.Schofield, C.H.Arrowsmith, C.Bountra, A.Edwards, U.C.T.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.73 / 2.21
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 142.150, 142.150, 151.540, 90.00, 90.00, 120.00
R / Rfree (%) 18.4 / 20.1

Other elements in 6rbi:

The structure of Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol also contains other interesting chemical elements:

Zinc (Zn) 2 atoms
Sodium (Na) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol (pdb code 6rbi). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol, PDB code: 6rbi:

Manganese binding site 1 out of 1 in 6rbi

Go back to Manganese Binding Sites List in 6rbi
Manganese binding site 1 out of 1 in the Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol


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 KDM5B in Complex with 5-(1H-Tetrazol-5-Yl) Quinolin-8-Ol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn802

b:41.2
occ:1.00
N4 A:JX8805 2.0 38.4 1.0
O A:JX8805 2.0 40.0 1.0
O A:HOH985 2.1 45.2 1.0
OE2 A:GLU501 2.2 50.5 1.0
NE2 A:HIS499 2.2 43.3 1.0
O A:HOH996 2.4 39.3 1.0
C2 A:JX8805 2.7 35.8 1.0
C1 A:JX8805 2.8 36.5 1.0
CD A:GLU501 3.0 48.7 1.0
C8 A:JX8805 3.0 40.0 1.0
CE1 A:HIS499 3.1 40.7 1.0
OE1 A:GLU501 3.1 48.5 1.0
CD2 A:HIS499 3.2 41.7 1.0
NE2 A:HIS587 3.8 40.4 1.0
C A:JX8805 4.1 39.3 1.0
C3 A:JX8805 4.1 39.6 1.0
ND1 A:HIS499 4.2 41.1 1.0
C7 A:JX8805 4.3 42.1 1.0
CG A:HIS499 4.3 38.9 1.0
CE1 A:HIS587 4.3 43.8 1.0
O A:HOH1005 4.4 59.6 1.0
CG A:GLU501 4.4 41.4 1.0
C6 A:JX8805 4.7 38.8 1.0
O A:HOH1022 4.7 56.7 1.0
OH A:TYR488 4.8 51.0 1.0
NH2 A:ARG98 4.9 79.3 1.0
CD2 A:HIS587 4.9 43.3 1.0

Reference:

C.Johansson, J.A.Newman, A.Kawamura, C.J.Schofield, C.H.Arrowsmith, C.Bountra, A.Edwards, U.C.T.Oppermann. Crystal Structure of KDM5B in Complex with 5-(1H-Tetrazol-5-Yl)Quinolin-8-Ol To Be Published.
Page generated: Tue Dec 15 05:00:24 2020

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