Atomistry » Chlorine » PDB 1lwk-1mj5 » 1m78
Atomistry »
  Chlorine »
    PDB 1lwk-1mj5 »
      1m78 »

Chlorine in PDB 1m78: Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225)

Enzymatic activity of Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225)

All present enzymatic activity of Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225):
1.5.1.3;

Protein crystallography data

The structure of Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225), PDB code: 1m78 was solved by M.Whitlow, A.J.Howard, L.F.Kuyper, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.71
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.910, 67.280, 38.490, 90.00, 93.07, 90.00
R / Rfree (%) n/a / n/a

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225) (pdb code 1m78). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225), PDB code: 1m78:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1m78

Go back to Chlorine Binding Sites List in 1m78
Chlorine binding site 1 out of 2 in the Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl194

b:13.6
occ:1.00
 CL A:CLZ194 0.0 13.6 1.0
C8 A:CLZ194 1.8 11.0 1.0
C7 A:CLZ194 2.6 15.1 1.0
C9 A:CLZ194 2.8 10.2 1.0
N13 A:CLZ194 2.9 16.0 1.0
N5 A:CLZ194 3.0 10.9 1.0
O A:ILE112 3.3 8.9 1.0
C1 A:CLZ194 3.3 12.1 1.0
CZ A:PHE36 3.8 13.6 1.0
C4N A:NDP193 3.8 8.9 1.0
C5N A:NDP193 3.9 12.9 1.0
C12 A:CLZ194 4.0 13.2 1.0
CE2 A:PHE36 4.1 11.9 1.0
C10 A:CLZ194 4.1 11.0 1.0
CB A:ILE112 4.1 8.6 1.0
CE1 A:PHE36 4.2 16.6 1.0
CD1 A:ILE112 4.3 10.6 1.0
C A:ILE112 4.4 9.1 1.0
CG1 A:ILE112 4.4 3.7 1.0
C11 A:CLZ194 4.5 8.9 1.0
N2 A:CLZ194 4.6 10.4 1.0
CD2 A:PHE36 4.7 12.1 1.0
CA A:ILE112 4.8 8.2 1.0
CD1 A:PHE36 4.9 12.8 1.0
C3N A:NDP193 5.0 6.5 1.0

Chlorine binding site 2 out of 2 in 1m78

Go back to Chlorine Binding Sites List in 1m78
Chlorine binding site 2 out of 2 in the Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Candida Albicans Dihydrofolate Reductase Complexed with Dihydro- Nicotinamide-Adenine-Dinucleotide Phosphate (Nadph) and 5-Chloryl-2, 4,6-Quinazolinetriamine (GW1225) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl196

b:14.7
occ:1.00
 CL B:CLZ196 0.0 14.7 1.0
C8 B:CLZ196 1.7 11.9 1.0
C7 B:CLZ196 2.7 18.0 1.0
C9 B:CLZ196 2.8 12.3 1.0
N13 B:CLZ196 2.9 16.5 1.0
N5 B:CLZ196 2.9 9.2 1.0
C1 B:CLZ196 3.2 9.3 1.0
O B:ILE112 3.2 10.7 1.0
C4N B:NDP195 3.7 12.0 1.0
CZ B:PHE36 3.8 10.4 1.0
C5N B:NDP195 3.8 14.4 1.0
C12 B:CLZ196 4.0 15.0 1.0
C10 B:CLZ196 4.1 11.0 1.0
CB B:ILE112 4.1 10.4 1.0
CE2 B:PHE36 4.2 14.2 1.0
CE1 B:PHE36 4.2 15.8 1.0
CD1 B:ILE112 4.3 7.1 1.0
C B:ILE112 4.4 6.3 1.0
CG1 B:ILE112 4.5 8.1 1.0
C11 B:CLZ196 4.6 11.7 1.0
N2 B:CLZ196 4.6 7.7 1.0
CG2 B:THR58 4.7 12.1 1.0
CA B:ILE112 4.8 8.2 1.0
C3N B:NDP195 4.9 12.0 1.0
CD2 B:PHE36 4.9 14.9 1.0
C6N B:NDP195 4.9 13.7 1.0
CD1 B:PHE36 4.9 16.3 1.0

Reference:

M.Whitlow, A.J.Howard, D.Stewart, K.D.Hardman, L.F.Kuyper, D.P.Baccanari, M.E.Fling, R.L.Tansik. X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and An Inhibited Ternary Complex. J.Biol.Chem. V. 272 30289 1997.
ISSN: ISSN 0021-9258
PubMed: 9374515
DOI: 10.1074/JBC.272.48.30289
Page generated: Sat Jul 20 00:03:40 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy