Chlorine in PDB 7s0u: PRMT5/MEP50 Crystal Structure with Mta and Phthalazinone Fragment Bound

Enzymatic activity of PRMT5/MEP50 Crystal Structure with Mta and Phthalazinone Fragment Bound

All present enzymatic activity of PRMT5/MEP50 Crystal Structure with Mta and Phthalazinone Fragment Bound:
2.1.1.320;

Protein crystallography data

The structure of PRMT5/MEP50 Crystal Structure with Mta and Phthalazinone Fragment Bound, PDB code: 7s0u was solved by R.J.Gunn, N.C.Thomas, J.D.Lawson, A.Ivetac, C.R.Smith, S.Kulyk, M.A.Marx, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.98 / 2.01
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 98.748, 138.418, 177.264, 90, 90, 90
R / Rfree (%) 23.1 / 26.5

Other elements in 7s0u:

The structure of PRMT5/MEP50 Crystal Structure with Mta and Phthalazinone Fragment Bound also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the PRMT5/MEP50 Crystal Structure with Mta and Phthalazinone Fragment Bound (pdb code 7s0u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the PRMT5/MEP50 Crystal Structure with Mta and Phthalazinone Fragment Bound, PDB code: 7s0u:

Chlorine binding site 1 out of 1 in 7s0u

Go back to Chlorine Binding Sites List in 7s0u
Chlorine binding site 1 out of 1 in the PRMT5/MEP50 Crystal Structure with Mta and Phthalazinone Fragment Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PRMT5/MEP50 Crystal Structure with Mta and Phthalazinone Fragment Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:52.7
occ:1.00
 OG A:SER310 4.0 35.8 1.0
CE2 A:TYR502 4.1 22.2 1.0
O A:LEU308 4.1 39.0 1.0
CD2 A:TYR502 4.3 24.2 1.0
N A:SER310 4.5 28.9 1.0
C A:LEU308 4.5 39.0 1.0
O A:HOH835 4.6 30.1 1.0
C A:GLN309 4.6 35.7 1.0
CA A:GLN309 4.7 36.3 1.0
SG A:CYS487 4.7 22.9 1.0
CB A:LEU308 4.8 30.0 1.0
N A:GLN309 4.8 34.9 1.0

Reference:

C.R.Smith, R.Aranda, T.P.Bobinski, D.M.Briere, A.C.Burns, J.G.Christensen, J.Clarine, L.D.Engstrom, R.J.Gunn, A.Ivetac, R.Jean-Baptiste, J.M.Ketcham, M.Kobayashi, J.Kuehler, S.Kulyk, J.D.Lawson, K.Moya, P.Olson, L.Rahbaek, N.C.Thomas, X.Wang, L.M.Waters, M.A.Marx. Fragment-Based Discovery of MRTX1719, A Synthetic Lethal Inhibitor of the PRMT5•Mta Complex For the Treatment of Mtap -Deleted Cancers. J.Med.Chem. V. 65 1749 2022.
ISSN: ISSN 0022-2623
PubMed: 35041419
DOI: 10.1021/ACS.JMEDCHEM.1C01900
Page generated: Tue Apr 4 21:40:04 2023

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