Atomistry » Chlorine » PDB 2oa1-2ol1 » 2obf
Atomistry »
  Chlorine »
    PDB 2oa1-2ol1 »
      2obf »

Chlorine in PDB 2obf: Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah)

Enzymatic activity of Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah)

All present enzymatic activity of Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah):
2.1.1.28;

Protein crystallography data

The structure of Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah), PDB code: 2obf was solved by N.Drinkwater, J.L.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.38 / 2.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.680, 94.680, 188.300, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 26.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah) (pdb code 2obf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah), PDB code: 2obf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2obf

Go back to Chlorine Binding Sites List in 2obf
Chlorine binding site 1 out of 2 in the Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2001

b:44.2
occ:1.00
CL1 A:F832001 0.0 44.2 1.0
C14 A:F832001 1.7 41.9 1.0
C15 A:F832001 2.7 43.0 1.0
C13 A:F832001 2.7 39.4 1.0
CD1 A:TYR85 3.6 45.1 1.0
CD2 A:LEU58 3.7 41.0 1.0
CG A:LEU58 3.7 46.2 1.0
O A:GLY54 3.7 42.9 1.0
CE2 A:TYR126 3.7 44.6 1.0
CA A:GLY54 3.8 40.9 1.0
CD2 A:TYR126 3.9 45.8 1.0
C16 A:F832001 4.0 41.2 1.0
C12 A:F832001 4.0 39.4 1.0
CG A:TYR85 4.0 45.5 1.0
CE1 A:TYR85 4.0 46.7 1.0
CB A:ALA57 4.2 41.4 1.0
C A:GLY54 4.2 41.0 1.0
CD1 A:LEU58 4.3 45.8 1.0
CB A:TYR85 4.4 48.2 1.0
C11 A:F832001 4.5 41.4 1.0
N A:LEU58 4.7 47.3 1.0
CD2 A:TYR85 4.8 45.6 1.0
CZ A:TYR85 4.9 45.5 1.0
CE2 A:TYR40 4.9 40.2 1.0
N A:GLY54 5.0 42.4 1.0
CZ A:TYR126 5.0 46.6 1.0
CB A:LEU58 5.0 45.9 1.0

Chlorine binding site 2 out of 2 in 2obf

Go back to Chlorine Binding Sites List in 2obf
Chlorine binding site 2 out of 2 in the Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of K57A Hpnmt with Inhibitor 3-Hydroxymethyl-7-(N-4- Chlorophenylaminosulfonyl)-Thiq and Adohcy (Sah) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2002

b:48.8
occ:1.00
CL1 B:F832002 0.0 48.8 1.0
C14 B:F832002 1.7 48.3 1.0
C15 B:F832002 2.7 47.8 1.0
C13 B:F832002 2.7 44.6 1.0
CG B:LEU558 3.5 39.5 1.0
O B:GLY554 3.5 41.7 1.0
CD1 B:TYR585 3.7 43.2 1.0
CA B:GLY554 3.7 41.7 1.0
CD2 B:LEU558 3.7 34.7 1.0
CE2 B:TYR626 3.8 46.0 1.0
CB B:ALA557 4.0 37.1 1.0
C16 B:F832002 4.0 48.8 1.0
C12 B:F832002 4.0 45.0 1.0
CD1 B:LEU558 4.0 39.7 1.0
C B:GLY554 4.0 40.4 1.0
CD2 B:TYR626 4.1 45.1 1.0
CG B:TYR585 4.1 44.7 1.0
CE1 B:TYR585 4.2 46.5 1.0
N B:LEU558 4.5 42.9 1.0
C11 B:F832002 4.5 46.9 1.0
CB B:TYR585 4.5 43.8 1.0
CB B:LEU558 4.8 40.8 1.0
N B:GLY554 4.9 42.8 1.0
CD2 B:TYR585 4.9 44.2 1.0
CZ B:TYR626 5.0 45.3 1.0
O B:VAL553 5.0 43.4 1.0
CD2 B:LEU547 5.0 50.0 1.0

Reference:

C.L.Gee, N.Drinkwater, J.D.A.Tyndall, G.L.Grunewald, Q.Wu, M.J.Mcleish, J.L.Martin. Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase J.Med.Chem. V. 50 4845 2007.
ISSN: ISSN 0022-2623
PubMed: 17845018
DOI: 10.1021/JM0703385
Page generated: Thu Jul 10 23:28:15 2025

Last articles

Mg in 5G0R
Mg in 5G5V
Mg in 5G3T
Mg in 5G5T
Mg in 5G5S
Mg in 5G4A
Mg in 5G57
Mg in 5G50
Mg in 5G41
Mg in 5G3Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy