Chlorine in PDB 7thl: Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A

Enzymatic activity of Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A

All present enzymatic activity of Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A:
2.3.2.27;

Protein crystallography data

The structure of Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A, PDB code: 7thl was solved by M.Luo, J.R.Terrell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.07 / 1.56
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 29.145, 39.618, 102.656, 90, 94.11, 90
R / Rfree (%) 16.6 / 20.6

Other elements in 7thl:

The structure of Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A also contains other interesting chemical elements:

Zinc (Zn) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A (pdb code 7thl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A, PDB code: 7thl:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7thl

Go back to Chlorine Binding Sites List in 7thl
Chlorine binding site 1 out of 3 in the Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:17.1
occ:1.00
 NZ B:LYS454 3.1 17.7 1.0
N A:ILE485 3.2 7.6 1.0
CA A:MET484 3.8 10.1 1.0
CE B:LYS454 3.8 17.2 1.0
C A:MET484 4.0 10.2 1.0
O A:ILE485 4.0 11.8 1.0
O A:HOH616 4.0 17.4 1.0
CB A:MET484 4.0 11.3 1.0
CB A:ILE485 4.1 10.0 1.0
CA A:ILE485 4.1 8.2 1.0
CG A:LYS469 4.2 18.5 1.0
CG1 A:ILE485 4.2 11.9 1.0
CE A:LYS469 4.3 22.1 1.0
CD B:LYS454 4.3 13.6 1.0
CD A:LYS466 4.3 16.9 1.0
CE A:LYS466 4.3 23.7 1.0
C A:ILE485 4.5 12.6 1.0
O A:HOH632 4.6 30.6 1.0
CD A:LYS469 4.6 27.0 1.0
O A:HOH606 4.7 25.7 1.0

Chlorine binding site 2 out of 3 in 7thl

Go back to Chlorine Binding Sites List in 7thl
Chlorine binding site 2 out of 3 in the Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:15.0
occ:1.00
 O B:HOH635 3.1 16.8 1.0
CE1 A:TYR489 4.0 16.1 1.0
CD1 A:TYR489 4.0 13.8 1.0
CB B:GLU427 4.8 15.1 1.0
O B:HOH644 4.8 21.6 1.0
O B:GLU427 4.9 13.4 1.0
O A:HOH628 4.9 13.4 1.0
O B:HOH649 4.9 38.4 1.0
N B:GLU427 5.0 14.9 1.0

Chlorine binding site 3 out of 3 in 7thl

Go back to Chlorine Binding Sites List in 7thl
Chlorine binding site 3 out of 3 in the Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Mouse Double Minute 2 Homolog (MDM2) Ring Domain in Complex with Inulanolide A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:14.1
occ:1.00
 O D:HOH638 3.1 19.3 1.0
CE2 C:TYR489 3.8 17.6 1.0
CD2 C:TYR489 4.0 13.7 1.0
CB D:GLU427 4.8 12.0 1.0
O C:HOH641 4.9 11.7 1.0
O D:HOH652 4.9 22.8 1.0
N D:GLU427 5.0 13.4 1.0
O D:GLU427 5.0 10.8 1.0

Reference:

J.R.Terrell, S.Tang, O.O.Faniyi, I.H.Jeong, J.Yin, B.Nijampatnam, S.E.Velu, W.Wang, R.Zhang, M.Luo. Structural Studies of Antitumor Compounds That Target the Ring Domain of MDM2. Protein Sci. V. 31 E4367 2022.
ISSN: ESSN 1469-896X
PubMed: 35900024
DOI: 10.1002/PRO.4367
Page generated: Tue Apr 4 21:49:44 2023

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