Atomistry » Chlorine » PDB 7p5n-7pjr » 7pjm
Atomistry »
  Chlorine »
    PDB 7p5n-7pjr »
      7pjm »

Chlorine in PDB 7pjm: Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate

Enzymatic activity of Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate

All present enzymatic activity of Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate:
1.1.1.42;

Protein crystallography data

The structure of Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate, PDB code: 7pjm was solved by R.Reinbold, P.Rabe, M.I.Abboud, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.01 / 2.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 96.58, 273.01, 117.42, 90, 90, 90
R / Rfree (%) 18.1 / 21

Other elements in 7pjm:

The structure of Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate (pdb code 7pjm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate, PDB code: 7pjm:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7pjm

Go back to Chlorine Binding Sites List in 7pjm
Chlorine binding site 1 out of 3 in the Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate


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 Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:86.8
occ:1.00
 SG A:CYS297 2.9 76.8 0.2
HB3 A:CYS297 2.9 87.1 0.8
HB2 A:CYS297 3.3 86.5 0.2
HG A:CYS297 3.3 82.9 0.8
OD2 A:ASP299 3.5 90.6 1.0
HB2 A:CYS297 3.5 87.1 0.8
CB A:CYS297 3.6 72.3 0.8
CB A:CYS297 3.7 71.8 0.2
HD2 A:PRO298 3.8 87.3 1.0
HB A:THR302 3.9 75.4 1.0
SG A:CYS297 4.0 68.8 0.8
O A:LEU103 4.0 56.5 1.0
CG A:ASP299 4.0 96.9 1.0
HB3 A:CYS297 4.0 86.5 0.2
HB3 A:ASP299 4.1 114.0 1.0
H A:ASP299 4.1 114.8 1.0
HG2 A:LYS65 4.2 81.3 1.0
OD1 A:ASP299 4.6 100.8 1.0
CB A:ASP299 4.6 94.7 1.0
HA A:LEU103 4.6 61.8 1.0
CB A:THR302 4.7 62.5 1.0
HG1 A:THR302 4.7 78.2 1.0
OG1 A:THR302 4.7 64.9 1.0
CD A:PRO298 4.7 72.4 1.0
HE3 A:LYS65 4.7 102.6 1.0
HG21 A:THR302 4.8 70.5 1.0
HD22 A:LEU103 4.9 68.0 1.0
N A:ASP299 4.9 95.3 1.0
CA A:CYS297 4.9 71.7 0.8

Chlorine binding site 2 out of 3 in 7pjm

Go back to Chlorine Binding Sites List in 7pjm
Chlorine binding site 2 out of 3 in the Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:97.8
occ:1.00
 SG B:CYS297 2.7 95.5 0.2
HB3 B:CYS297 3.3 105.8 0.8
HG B:CYS297 3.4 103.3 0.8
O B:LEU103 3.7 70.8 1.0
OD2 B:ASP299 3.7 103.6 1.0
HA B:LEU103 3.9 79.7 1.0
HB2 B:CYS297 4.0 105.8 0.2
CB B:CYS297 4.1 87.9 0.8
SG B:CYS297 4.1 85.8 0.8
CB B:CYS297 4.1 87.9 0.2
HD2 B:PRO298 4.3 108.7 1.0
HD22 B:LEU103 4.3 83.0 1.0
HB2 B:CYS297 4.4 105.8 0.8
HG2 B:PRO298 4.4 111.1 1.0
HB B:THR302 4.5 97.2 1.0
HB3 B:CYS297 4.6 105.8 0.2
HB3 B:LEU103 4.6 79.1 1.0
C B:LEU103 4.6 65.8 1.0
CA B:LEU103 4.6 66.2 1.0
HD23 B:LEU103 4.7 83.0 1.0
HG21 B:THR302 4.7 93.5 1.0
CG B:ASP299 4.8 103.1 1.0
H B:ASP299 4.9 123.6 1.0

Chlorine binding site 3 out of 3 in 7pjm

Go back to Chlorine Binding Sites List in 7pjm
Chlorine binding site 3 out of 3 in the Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Ivosidenib-Resistant IDH1 Variant R132C S280F in Complex with Nadph and CA2+/2-Oxoglutarate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1206

b:88.5
occ:1.00
 SG C:CYS297 2.3 71.4 0.2
HB3 C:CYS297 3.0 80.1 0.8
OD2 C:ASP299 3.2 87.2 1.0
HG C:CYS297 3.6 79.2 0.8
HD2 C:PRO298 3.8 79.6 1.0
CB C:CYS297 3.8 66.5 0.8
O C:LEU103 3.9 57.6 1.0
CB C:CYS297 3.9 65.8 0.2
HB2 C:CYS297 3.9 79.4 0.2
HB2 C:CYS297 4.1 80.1 0.8
SG C:CYS297 4.1 65.7 0.8
HB C:THR302 4.3 72.4 1.0
CG C:ASP299 4.3 84.5 1.0
HB3 C:CYS297 4.3 79.4 0.2
HA C:LEU103 4.5 63.2 1.0
H C:ASP299 4.5 102.2 1.0
HG1 C:THR302 4.5 76.5 1.0
CD C:PRO298 4.7 66.0 1.0
HD22 C:LEU103 4.8 68.9 1.0
C C:LEU103 4.9 53.9 1.0
OD1 C:ASP299 4.9 83.4 1.0
HA C:CYS297 5.0 77.5 0.2
HB3 C:ASP299 5.0 103.5 1.0

Reference:

R.Reinbold, I.C.Hvinden, P.Rabe, R.A.Herold, A.Finch, J.Wood, M.Morgan, M.Staudt, I.J.Clifton, F.A.Armstrong, J.S.O.Mccullagh, J.Redmond, C.Bardella, M.I.Abboud, C.J.Schofield. Resistance to the Isocitrate Dehydrogenase 1 Mutant Inhibitor Ivosidenib Can Be Overcome By Alternative Dimer-Interface Binding Inhibitors. Nat Commun V. 13 4785 2022.
ISSN: ESSN 2041-1723
PubMed: 35970853
DOI: 10.1038/S41467-022-32436-4
Page generated: Tue Jul 30 02:32:54 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy