Sodium in PDB 7usg: BRD2-BD2 in Complex with MDP5

Protein crystallography data

The structure of BRD2-BD2 in Complex with MDP5, PDB code: 7usg was solved by T.D.Jayasinghe, D.R.Ronning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.60 / 1.20
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 52.56, 72.277, 32.213, 90, 90, 90
R / Rfree (%) 17.7 / 19.7

Sodium Binding Sites:

The binding sites of Sodium atom in the BRD2-BD2 in Complex with MDP5 (pdb code 7usg). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the BRD2-BD2 in Complex with MDP5, PDB code: 7usg:

Sodium binding site 1 out of 1 in 7usg

Go back to Sodium Binding Sites List in 7usg
Sodium binding site 1 out of 1 in the BRD2-BD2 in Complex with MDP5


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of BRD2-BD2 in Complex with MDP5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na504

b:14.4
occ:0.50
O A:HOH681 3.0 13.3 1.0
NH1 A:ARG419 3.2 9.5 1.0
CD A:ARG419 3.8 10.2 1.0
CA A:ALA416 4.1 8.6 1.0
CZ A:ARG419 4.2 8.0 1.0
CB A:ALA416 4.3 11.4 1.0
N A:ALA416 4.5 9.1 1.0
NE A:ARG419 4.5 9.1 1.0
O A:HOH767 4.5 18.4 1.0
O A:HOH710 4.5 17.1 1.0
C A:ALA415 4.8 9.1 1.0
O A:HOH644 4.9 15.8 1.0
O A:ALA415 4.9 8.1 1.0

Reference:

B.Sethi, V.Kumar, T.D.Jayasinghe, Y.Dong, D.R.Ronning, H.A.Zhong, D.W.Coulter, R.I.Mahato. Targeting BRD4 and PI3K Signaling Pathways For the Treatment of Medulloblastoma. J Control Release V. 354 80 2023.
ISSN: ISSN 1873-4995
PubMed: 36599397
DOI: 10.1016/J.JCONREL.2022.12.055
Page generated: Fri Apr 7 16:39:18 2023

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