Atomistry » Potassium » PDB 2w0f-2xo0 » 2w3b
Atomistry »
  Potassium »
    PDB 2w0f-2xo0 »
      2w3b »

Potassium in PDB 2w3b: Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686)

Enzymatic activity of Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686)

All present enzymatic activity of Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686):
1.5.1.3;

Protein crystallography data

The structure of Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686), PDB code: 2w3b was solved by A.K.W.Leung, R.C.Reynolds, D.W.Borhani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.95 / 1.27
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 87.725, 94.387, 95.439, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 20.3

Potassium Binding Sites:

The binding sites of Potassium atom in the Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686) (pdb code 2w3b). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686), PDB code: 2w3b:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 2w3b

Go back to Potassium Binding Sites List in 2w3b
Potassium binding site 1 out of 2 in the Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K501

b:23.1
occ:1.00
 O A:LYS46 2.7 16.2 1.0
O A:VAL43 2.7 13.7 1.0
O A:SER41 2.8 16.9 1.0
O A:HOH2111 2.9 25.9 1.0
OG A:SER41 3.2 17.7 1.0
CB A:SER41 3.6 15.7 1.0
C A:SER41 3.6 15.5 1.0
C A:VAL43 3.6 13.1 1.0
O A:HOH2112 3.7 34.8 1.0
C A:LYS46 3.8 15.7 1.0
N A:VAL43 3.9 14.0 1.0
O A:HOH2109 4.0 30.1 1.0
CA A:SER41 4.2 15.8 1.0
N A:LYS46 4.3 15.0 1.0
CA A:VAL43 4.3 14.1 1.0
N A:GLU44 4.4 12.8 1.0
N A:SER42 4.4 15.6 1.0
C A:SER42 4.4 14.6 1.0
CA A:GLU44 4.5 13.3 1.0
CA A:LYS46 4.6 15.6 1.0
CA A:SER42 4.7 15.5 1.0
O A:HOH2093 4.8 29.4 1.0
N A:GLY45 4.8 13.7 1.0
N A:GLN47 4.8 15.2 1.0
N A:SER41 4.9 15.7 1.0
C A:GLU44 4.9 12.8 1.0
CA A:GLN47 4.9 15.8 1.0
CB A:VAL43 5.0 15.1 1.0

Potassium binding site 2 out of 2 in 2w3b

Go back to Potassium Binding Sites List in 2w3b
Potassium binding site 2 out of 2 in the Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Human Dihydrofolate Reductase Complexed with Nadph and A Lipophilic Antifolate Selective For Mycobacterium Avium Dhfr, 6-((2,5- Diethoxyphenyl)Aminomethyl)-2,4-Diamino-5-Methylpyrido(2,3-D) Pyrimidine (Sri-8686) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K501

b:47.3
occ:1.00
 O B:LYS46 2.6 24.2 1.0
O B:HOH2089 2.8 44.1 1.0
O B:VAL43 2.8 26.3 1.0
O B:HOH2078 2.9 54.0 1.0
OG B:SER41 3.1 26.9 1.0
CB B:SER41 3.5 24.7 1.0
C B:LYS46 3.8 23.1 1.0
C B:VAL43 3.9 26.8 1.0
O B:SER41 4.0 27.6 1.0
N B:LYS46 4.1 24.8 1.0
O B:HOH2077 4.2 27.1 1.0
CA B:GLU44 4.3 27.9 1.0
N B:GLY45 4.4 27.4 1.0
C B:SER41 4.4 25.4 1.0
CA B:LYS46 4.5 24.3 1.0
N B:GLU44 4.5 28.0 1.0
CA B:SER41 4.5 23.4 1.0
C B:GLU44 4.7 27.9 1.0
N B:VAL43 4.7 26.0 1.0
N B:GLN47 4.8 21.4 1.0
CA B:VAL43 4.9 25.9 1.0
CA B:GLN47 5.0 20.0 1.0
N B:SER41 5.0 21.3 1.0

Reference:

A.K.W.Leung, L.J.Ross, S.Zywno-Van Ginkel, R.C.Reynolds, L.E.Seitz, V.Pathak, W.W.Barrow, E.L.White, W.J.Suling, J.R.Piper, D.W.Borhani. Structural Basis For Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase By A Lipophilic Antifolate To Be Published.
Page generated: Mon Aug 12 07:28:43 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy