Atomistry » Chlorine » PDB 5xii-5xvf » 5xmv
Atomistry »
  Chlorine »
    PDB 5xii-5xvf »
      5xmv »

Chlorine in PDB 5xmv: Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362

Enzymatic activity of Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362

All present enzymatic activity of Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362:
2.1.2.1;

Protein crystallography data

The structure of Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362, PDB code: 5xmv was solved by P.Chitnumsub, A.Jaruwat, U.Leartsakulpanich, G.Schwertz, F.Diederich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.16
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 101.674, 58.843, 234.899, 90.00, 90.14, 90.00
R / Rfree (%) 24.2 / 30.6

Other elements in 5xmv:

The structure of Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362 also contains other interesting chemical elements:

Fluorine (F) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362 (pdb code 5xmv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362, PDB code: 5xmv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5xmv

Go back to Chlorine Binding Sites List in 5xmv
Chlorine binding site 1 out of 5 in the Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:41.4
occ:1.00
CL3 A:8AU502 0.0 41.4 1.0
C25 A:8AU502 1.8 30.6 1.0
C26 A:8AU502 2.7 30.1 1.0
C22 A:8AU502 2.8 29.0 1.0
C13 A:8AU502 3.2 29.4 1.0
C20 A:8AU502 3.2 29.0 1.0
C21 A:8AU502 3.2 28.4 1.0
CZ B:TYR63 3.5 25.5 1.0
CE1 B:TYR63 3.6 26.1 1.0
CZ B:PHE266 3.6 21.3 1.0
C10 A:8AU502 3.7 27.5 1.0
CE2 B:TYR63 3.7 25.3 1.0
CD1 B:TYR63 3.8 26.7 1.0
CD2 B:TYR63 3.9 28.0 1.0
OH B:TYR63 4.0 24.1 1.0
CG B:TYR63 4.0 28.1 1.0
C27 A:8AU502 4.0 29.1 1.0
C29 A:8AU502 4.1 29.8 1.0
N11 A:8AU502 4.1 27.6 1.0
CD1 A:LEU130 4.2 20.6 1.0
CD2 A:LEU130 4.3 21.5 1.0
C19 A:8AU502 4.3 29.3 1.0
CE2 B:PHE266 4.3 20.9 1.0
C16 A:8AU502 4.4 28.7 1.0
C5 A:8AU502 4.5 27.7 1.0
CE1 B:PHE266 4.5 20.3 1.0
C28 A:8AU502 4.6 28.4 1.0
CG A:LEU130 4.7 20.6 1.0
OE2 B:GLU56 4.8 25.6 1.0

Chlorine binding site 2 out of 5 in 5xmv

Go back to Chlorine Binding Sites List in 5xmv
Chlorine binding site 2 out of 5 in the Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:31.8
occ:1.00
ND2 A:ASN276 3.2 14.4 1.0
ND2 B:ASN276 3.2 14.9 1.0
NZ B:LYS277 3.3 14.9 1.0
NZ A:LYS277 3.4 14.8 1.0
CE B:LYS277 4.1 14.6 1.0
CG A:ASN276 4.2 14.5 1.0
CG B:LYS277 4.2 15.4 1.0
CG B:ASN276 4.3 15.4 1.0
CE A:LYS277 4.3 14.6 1.0
CG A:LYS277 4.3 14.8 1.0
CD2 B:LEU46 4.4 22.1 1.0
OD1 A:ASN276 4.4 14.8 1.0
CD2 A:LEU46 4.4 22.3 1.0
OD1 B:ASN276 4.5 15.7 1.0
CD B:LYS277 4.8 14.8 1.0
CD A:LYS277 4.9 14.9 1.0

Chlorine binding site 3 out of 5 in 5xmv

Go back to Chlorine Binding Sites List in 5xmv
Chlorine binding site 3 out of 5 in the Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:41.0
occ:1.00
CL3 B:8AU502 0.0 41.0 1.0
C25 B:8AU502 1.8 31.6 1.0
C26 B:8AU502 2.7 30.2 1.0
C22 B:8AU502 2.8 30.4 1.0
C20 B:8AU502 3.2 29.8 1.0
C21 B:8AU502 3.3 29.5 1.0
CZ A:TYR63 3.3 24.1 1.0
C13 B:8AU502 3.4 31.8 1.0
CE2 A:TYR63 3.5 24.0 1.0
CE1 A:TYR63 3.5 24.5 1.0
OH A:TYR63 3.7 23.6 1.0
CZ A:PHE266 3.8 19.5 1.0
C10 B:8AU502 3.9 31.1 1.0
CD2 A:TYR63 3.9 25.2 1.0
CD1 A:TYR63 3.9 24.4 1.0
C27 B:8AU502 4.0 29.6 1.0
CG A:TYR63 4.1 25.5 1.0
C29 B:8AU502 4.1 31.2 1.0
CD2 B:LEU130 4.3 19.2 1.0
CD1 B:LEU130 4.3 18.4 1.0
C19 B:8AU502 4.3 29.6 1.0
N11 B:8AU502 4.3 30.6 1.0
C16 B:8AU502 4.4 30.5 1.0
CE2 A:PHE266 4.4 18.7 1.0
C28 B:8AU502 4.6 30.5 1.0
C5 B:8AU502 4.6 30.8 1.0
CE1 A:PHE266 4.7 18.7 1.0
CG B:LEU130 4.7 18.2 1.0
OE2 A:GLU56 4.9 23.6 1.0

Chlorine binding site 4 out of 5 in 5xmv

Go back to Chlorine Binding Sites List in 5xmv
Chlorine binding site 4 out of 5 in the Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:37.4
occ:1.00
CL3 C:8AU502 0.0 37.4 1.0
C25 C:8AU502 1.8 30.5 1.0
C26 C:8AU502 2.7 29.2 1.0
C22 C:8AU502 2.8 29.9 1.0
C20 C:8AU502 3.2 29.5 1.0
C21 C:8AU502 3.2 28.8 1.0
C13 C:8AU502 3.3 28.2 1.0
C10 C:8AU502 3.8 27.8 1.0
C27 C:8AU502 4.0 28.9 1.0
C29 C:8AU502 4.1 30.0 1.0
CD1 C:LEU130 4.2 20.3 1.0
C19 C:8AU502 4.3 30.2 1.0
C16 C:8AU502 4.3 28.9 1.0
N11 C:8AU502 4.4 28.2 1.0
CD2 C:LEU130 4.4 20.8 1.0
C5 C:8AU502 4.5 27.7 1.0
C28 C:8AU502 4.6 28.6 1.0
CG C:LEU130 4.7 20.4 1.0

Chlorine binding site 5 out of 5 in 5xmv

Go back to Chlorine Binding Sites List in 5xmv
Chlorine binding site 5 out of 5 in the Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Plasmodium Vivax Shmt Bound with Plp-Glycine and GS362 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:18.7
occ:0.50
NZ C:LYS277 3.1 15.3 1.0
ND2 C:ASN276 3.6 15.2 1.0
CE C:LYS277 3.9 15.4 1.0
CG C:LYS277 4.1 16.2 1.0
CD2 C:LEU46 4.1 23.2 1.0
CG C:ASN276 4.5 15.2 1.0
CD C:LYS277 4.6 15.7 1.0
OD1 C:ASN276 4.7 14.6 1.0

Reference:

G.Schwertz, M.S.Frei, M.C.Witschel, M.Rottmann, U.Leartsakulpanich, P.Chitnumsub, A.Jaruwat, W.Ittarat, A.Schafer, R.A.Aponte, N.Trapp, K.Mark, P.Chaiyen, F.Diederich. Conformational Aspects in the Design of Inhibitors For Serine Hydroxymethyltransferase (Shmt): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry V. 23 14345 2017.
ISSN: ISSN 1521-3765
PubMed: 28967982
DOI: 10.1002/CHEM.201703244
Page generated: Sat Jul 12 10:42:40 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy