Chlorine in PDB 7rp3: Crystal Structure of Gne-1952 Alkylated Kras G12C in Complex with 2H11 Clamp

Enzymatic activity of Crystal Structure of Gne-1952 Alkylated Kras G12C in Complex with 2H11 Clamp

All present enzymatic activity of Crystal Structure of Gne-1952 Alkylated Kras G12C in Complex with 2H11 Clamp:
3.6.5.2;

Protein crystallography data

The structure of Crystal Structure of Gne-1952 Alkylated Kras G12C in Complex with 2H11 Clamp, PDB code: 7rp3 was solved by A.Oh, C.Tam, W.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.58 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.236, 74.33, 77.88, 90, 104.87, 90
R / Rfree (%) 19.1 / 23.4

Other elements in 7rp3:

The structure of Crystal Structure of Gne-1952 Alkylated Kras G12C in Complex with 2H11 Clamp also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Gne-1952 Alkylated Kras G12C in Complex with 2H11 Clamp (pdb code 7rp3). 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 Crystal Structure of Gne-1952 Alkylated Kras G12C in Complex with 2H11 Clamp, PDB code: 7rp3:

Chlorine binding site 1 out of 1 in 7rp3

Go back to Chlorine Binding Sites List in 7rp3
Chlorine binding site 1 out of 1 in the Crystal Structure of Gne-1952 Alkylated Kras G12C in Complex with 2H11 Clamp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Gne-1952 Alkylated Kras G12C in Complex with 2H11 Clamp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:40.7
occ:1.00
 CL A:MKZ201 0.0 40.7 1.0
C18 A:MKZ201 1.7 39.1 1.0
C19 A:MKZ201 2.7 34.0 1.0
C9 A:MKZ201 2.7 34.5 1.0
C10 A:MKZ201 3.1 34.5 1.0
CE A:MET72 3.4 37.0 1.0
C17 A:MKZ201 3.5 35.1 1.0
SD A:MET72 3.5 36.5 1.0
NH2 A:ARG68 3.6 30.5 1.0
O A:HOH334 3.7 36.7 1.0
C16 A:MKZ201 3.7 39.0 1.0
NE A:ARG68 3.7 38.1 1.0
CZ A:ARG68 3.8 35.9 1.0
C11 A:MKZ201 3.8 36.8 1.0
CG2 A:THR58 4.0 26.2 1.0
C20 A:MKZ201 4.0 37.4 1.0
CB A:THR58 4.0 31.0 1.0
C8 A:MKZ201 4.0 39.9 1.0
CG A:MET72 4.1 36.2 1.0
C12 A:MKZ201 4.3 36.8 1.0
O A:HOH333 4.4 42.5 1.0
OG1 A:THR58 4.4 29.3 1.0
C15 A:MKZ201 4.5 39.5 1.0
C7 A:MKZ201 4.6 38.8 1.0
NH1 A:ARG68 4.6 36.5 1.0
CD A:ARG68 4.6 41.3 1.0
N5 A:MKZ201 4.7 35.8 1.0
C13 A:MKZ201 4.7 39.9 1.0

Reference:

C.W.Davies, A.J.Oh, R.Mroue, M.Steffek, J.M.Bruning, Y.Xiao, S.Feng, S.Jayakar, E.Chan, V.Arumugam, S.C.Uribe, J.Drummond, A.Frommlet, C.Lu, Y.Franke, M.Merchant, H.Koeppen, J.G.Quinn, S.Malhotra, S.Do, L.Gazzard, H.E.Purkey, J.Rudolph, M.M.Mulvihill, J.T.Koerber, W.Wang, M.Evangelista. Conformation-Locking Antibodies For the Discovery and Characterization of Kras Inhibitors. Nat.Biotechnol. V. 40 769 2022.
ISSN: ISSN 1087-0156
PubMed: 34992247
DOI: 10.1038/S41587-021-01126-9
Page generated: Tue Jul 30 03:46:52 2024

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