Atomistry » Chlorine » PDB 6de4-6dov » 6de4
Atomistry »
  Chlorine »
    PDB 6de4-6dov »
      6de4 »

Chlorine in PDB 6de4: Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid

Enzymatic activity of Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid

All present enzymatic activity of Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid:
1.5.1.3;

Protein crystallography data

The structure of Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid, PDB code: 6de4 was solved by B.Hajian, D.Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.36 / 2.41
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 104.611, 104.660, 144.333, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 22.1

Other elements in 6de4:

The structure of Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid (pdb code 6de4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid, PDB code: 6de4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6de4

Go back to Chlorine Binding Sites List in 6de4
Chlorine binding site 1 out of 2 in the Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:53.4
occ:1.00
 O A:HOH337 2.1 98.6 1.0
NH2 A:ARG36 3.4 56.9 1.0
NH2 A:ARG32 3.6 41.4 1.0
NE A:ARG32 3.8 43.1 1.0
NE A:ARG36 3.8 64.6 1.0
CZ A:ARG36 4.1 51.0 1.0
CZ A:ARG32 4.2 46.3 1.0
CB A:ARG32 4.9 37.2 1.0
CD A:ARG32 5.0 45.6 1.0
CG A:ARG32 5.0 35.8 1.0

Chlorine binding site 2 out of 2 in 6de4

Go back to Chlorine Binding Sites List in 6de4
Chlorine binding site 2 out of 2 in the Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Homo Sapiens Dihydrofolate Reductase Complexed with Beta-Nadph and 3'- [(2R)-4-(2,4-Diamino-6-Ethylphenyl)But-3-Yn-2-Yl]-5'-Methoxy-[1,1'- Biphenyl]-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl205

b:53.1
occ:1.00
 CA B:PRO163 3.9 42.9 1.0
N B:GLY164 4.0 49.8 1.0
CB B:PRO163 4.5 44.1 1.0
C B:PRO163 4.5 50.7 1.0
N B:PRO163 4.8 42.4 1.0

Reference:

B.Hajian, E.Scocchera, C.Shoen, J.Krucinska, K.Viswanathan, N.G-Dayanandan, H.Erlandsen, A.Estrada, K.Mikusova, J.Kordulakova, M.Cynamon, D.Wright. Drugging the Folate Pathway in Mycobacterium Tuberculosis: the Role of Multi-Targeting Agents. Cell Chem Biol V. 26 781 2019.
ISSN: ESSN 2451-9456
PubMed: 30930162
DOI: 10.1016/J.CHEMBIOL.2019.02.013
Page generated: Sat Jul 27 21:31:43 2024

Last articles

As in 1IHU
As in 1I83
As in 1I9T
As in 1I9S
As in 1HYV
As in 1I19
As in 1GLJ
As in 1GQ8
As in 1GR0
As in 1FU1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy