Atomistry » Chlorine » PDB 1mkp-1nc4 » 1n7i
Atomistry »
  Chlorine »
    PDB 1mkp-1nc4 »
      1n7i »

Chlorine in PDB 1n7i: The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046

Enzymatic activity of The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046

All present enzymatic activity of The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046:
2.1.1.28;

Protein crystallography data

The structure of The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046, PDB code: 1n7i was solved by F.M.Mcmillan, J.Archbold, M.J.Mcleish, J.M.Caine, K.R.Criscione, G.L.Grunewald, J.L.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.92 / 2.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.350, 94.350, 186.550, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 28.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046 (pdb code 1n7i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046, PDB code: 1n7i:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1n7i

Go back to Chlorine Binding Sites List in 1n7i
Chlorine binding site 1 out of 4 in the The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3002

b:31.7
occ:1.00
 CL1 A:LY13002 0.0 31.7 1.0
C7 A:LY13002 1.5 36.9 1.0
C6 A:LY13002 2.4 36.6 1.0
C8 A:LY13002 2.6 37.8 1.0
CL2 A:LY13002 3.1 33.4 1.0
CG1 A:VAL53 3.2 42.0 1.0
CB A:VAL53 3.5 42.2 1.0
NZ A:LYS57 3.7 32.2 1.0
C5 A:LY13002 3.7 37.7 1.0
CG2 A:VAL53 3.8 43.3 1.0
C8A A:LY13002 3.8 39.1 1.0
CD A:ARG44 4.0 39.3 1.0
CE A:LYS57 4.1 32.1 1.0
O A:ASN39 4.1 45.6 1.0
CE A:MET258 4.1 46.2 1.0
C4A A:LY13002 4.3 38.7 1.0
CB A:ARG44 4.5 41.1 1.0
CG A:ARG44 4.6 40.0 1.0
NH1 A:ARG44 4.7 38.9 1.0
CZ A:PHE182 4.7 54.4 1.0
NE A:ARG44 4.8 40.3 1.0
CD A:LYS57 4.8 32.0 1.0
CB A:ASN39 4.9 42.5 1.0
CA A:VAL53 5.0 41.6 1.0

Chlorine binding site 2 out of 4 in 1n7i

Go back to Chlorine Binding Sites List in 1n7i
Chlorine binding site 2 out of 4 in the The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3002

b:33.4
occ:1.00
 CL2 A:LY13002 0.0 33.4 1.0
C8 A:LY13002 1.5 37.8 1.0
C8A A:LY13002 2.5 39.1 1.0
C7 A:LY13002 2.6 36.9 1.0
CE A:MET258 2.8 46.2 1.0
C1 A:LY13002 2.9 40.3 1.0
CL1 A:LY13002 3.1 31.7 1.0
NH1 A:ARG44 3.2 38.9 1.0
CZ A:ARG44 3.6 39.5 1.0
C4A A:LY13002 3.8 38.7 1.0
C6 A:LY13002 3.9 36.6 1.0
N1 A:LY13002 3.9 40.4 1.0
SD A:MET258 4.1 48.9 1.0
NE A:ARG44 4.1 40.3 1.0
NH2 A:ARG44 4.2 39.4 1.0
CG2 A:VAL272 4.3 37.7 1.0
CD A:ARG44 4.3 39.3 1.0
CG2 A:VAL269 4.3 47.5 1.0
C5 A:LY13002 4.3 37.7 1.0
CG1 A:VAL53 4.5 42.0 1.0
CG1 A:VAL269 4.5 45.7 1.0
CB A:VAL269 4.6 46.4 1.0
OD2 A:ASP267 4.7 48.1 1.0
CG A:MET258 4.8 43.3 1.0
CE2 A:PHE182 4.8 53.9 1.0
OD1 A:ASN39 4.9 42.5 1.0
CG2 A:VAL53 4.9 43.3 1.0

Chlorine binding site 3 out of 4 in 1n7i

Go back to Chlorine Binding Sites List in 1n7i
Chlorine binding site 3 out of 4 in the The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl3003

b:19.5
occ:1.00
 CL1 B:LY13003 0.0 19.5 1.0
C7 B:LY13003 1.5 24.3 1.0
C6 B:LY13003 2.4 26.2 1.0
C8 B:LY13003 2.6 24.2 1.0
CL2 B:LY13003 3.0 19.8 1.0
CG1 B:VAL553 3.2 38.7 1.0
CB B:VAL553 3.5 38.7 1.0
CG2 B:VAL553 3.7 38.1 1.0
C5 B:LY13003 3.7 27.9 1.0
C8A B:LY13003 3.8 29.4 1.0
CD B:ARG544 3.9 49.2 1.0
NZ B:LYS557 4.0 33.4 1.0
C4A B:LY13003 4.3 29.7 1.0
CE B:LYS557 4.3 33.7 1.0
O B:ASN539 4.4 50.1 1.0
NH1 B:ARG544 4.4 45.2 1.0
CE B:MET758 4.4 54.2 1.0
CG B:ARG544 4.5 51.2 1.0
CB B:ARG544 4.6 51.6 1.0
NE B:ARG544 4.6 47.3 1.0
CD B:LYS557 4.8 34.3 1.0
CZ B:ARG544 4.8 45.6 1.0
CZ B:PHE682 4.8 33.1 1.0
OD1 B:ASN539 4.9 51.7 1.0
CA B:VAL553 4.9 39.3 1.0

Chlorine binding site 4 out of 4 in 1n7i

Go back to Chlorine Binding Sites List in 1n7i
Chlorine binding site 4 out of 4 in the The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Phenylethanolamine N-Methyltransferase in Complex with S-Adenosylhomocysteine and the Inhibitor LY134046 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl3003

b:19.8
occ:1.00
 CL2 B:LY13003 0.0 19.8 1.0
C8 B:LY13003 1.5 24.2 1.0
C8A B:LY13003 2.5 29.4 1.0
C7 B:LY13003 2.6 24.3 1.0
C1 B:LY13003 2.9 33.4 1.0
CL1 B:LY13003 3.0 19.5 1.0
CE B:MET758 3.1 54.2 1.0
NH1 B:ARG544 3.3 45.2 1.0
CZ B:ARG544 3.7 45.6 1.0
C4A B:LY13003 3.8 29.7 1.0
C6 B:LY13003 3.8 26.2 1.0
N1 B:LY13003 3.9 33.7 1.0
CG2 B:VAL772 4.1 32.0 1.0
OD1 B:ASP767 4.2 44.1 1.0
SD B:MET758 4.2 54.9 1.0
NH2 B:ARG544 4.2 46.0 1.0
CG2 B:VAL769 4.2 50.0 1.0
NE B:ARG544 4.3 47.3 1.0
CG1 B:VAL769 4.3 48.1 1.0
C5 B:LY13003 4.3 27.9 1.0
CB B:VAL769 4.5 47.8 1.0
CG1 B:VAL553 4.5 38.7 1.0
CD B:ARG544 4.6 49.2 1.0
OD1 B:ASN539 4.6 51.7 1.0
CG2 B:VAL553 5.0 38.1 1.0

Reference:

F.M.Mcmillan, J.Archbold, M.J.Mcleish, J.M.Caine, K.R.Criscione, G.L.Grunewald, J.L.Martin. Molecular Recognition of Sub-Micromolar Inhibitors By the Epinephrine-Synthesizing Enzyme Phenylethanolamine N-Methyltransferase. J.Med.Chem. V. 47 37 2004.
ISSN: ISSN 0022-2623
PubMed: 14695818
DOI: 10.1021/JM0205752
Page generated: Sat Jul 20 00:20:50 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