Magnesium in PDB 8ogc: Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 11

Enzymatic activity of Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 11

All present enzymatic activity of Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 11:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 11, PDB code: 8ogc was solved by M.Schroeder, A.Vulpetti, M.Renatus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.89 / 2.09
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 81.74, 81.74, 234.101, 90, 90, 120
R / Rfree (%) 17.1 / 20.2

Other elements in 8ogc:

The structure of Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 11 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 11 (pdb code 8ogc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 11, PDB code: 8ogc:

Magnesium binding site 1 out of 1 in 8ogc

Go back to Magnesium Binding Sites List in 8ogc
Magnesium binding site 1 out of 1 in the Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 11


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human DCAF1 WD40 Repeats (Q1250L) in Complex with Compound 11 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1502

b:63.8
occ:1.00
 O A:PHE1123 2.1 47.0 1.0
O A:HOH1668 2.3 37.1 1.0
O A:HOH1703 2.4 31.8 1.0
OG A:SER1084 2.9 40.5 1.0
HG A:SER1084 3.1 30.0 0.0
C A:PHE1123 3.3 43.3 1.0
H A:VAL1085 3.6 33.1 1.0
HA A:SER1084 3.6 36.8 1.0
HB2 A:SER1084 3.7 38.2 1.0
CB A:SER1084 3.8 36.9 1.0
HA A:SER1124 3.8 43.2 1.0
HA A:PHE1123 3.8 43.2 1.0
CA A:PHE1123 4.2 43.2 1.0
CA A:SER1084 4.2 36.0 1.0
O A:VAL1085 4.2 31.4 1.0
N A:SER1124 4.2 44.0 1.0
CA A:SER1124 4.3 42.1 1.0
C A:SER1124 4.3 39.6 1.0
N A:VAL1085 4.4 32.1 1.0
O A:SER1124 4.5 40.7 1.0
HB3 A:SER1084 4.6 36.5 1.0
O A:VAL1122 4.8 39.8 1.0
HB3 A:PHE1123 4.8 47.6 1.0
N A:GLY1125 4.9 37.6 1.0
C A:SER1084 4.9 33.3 1.0
O A:ILE1083 4.9 36.9 1.0

Reference:

A.Vulpetti, P.Holzer, N.Schmiedeberg, P.Imbach-Weese, C.Pissot-Soldermann, G.J.Hollingworth, T.Radimerski, C.R.Thoma, T.M.Stachyra, M.Wojtynek, M.Maschlej, S.Chau, A.Schuffenhauer, C.Fernandez, M.Schroder, M.Renatus. Discovery of New Binders For DCAF1, An Emerging Ligase Target in the Targeted Protein Degradation Field Acs Med.Chem.Lett. 2023.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.3C00104
Page generated: Fri Oct 4 14:43:01 2024

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