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Magnesium in PDB 1c5p: Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator

Enzymatic activity of Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator

All present enzymatic activity of Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator:
3.4.21.4;

Protein crystallography data

The structure of Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator, PDB code: 1c5p was solved by B.A.Katz, R.Mackman, C.Luong, K.Radika, A.Martelli, P.A.Sprengeler, J.Wang, H.Chan, L.Wong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.50 / 1.43
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 54.830, 54.830, 109.150, 90.00, 90.00, 120.00
R / Rfree (%) 19.7 / 22.1

Other elements in 1c5p:

The structure of Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator (pdb code 1c5p). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator, PDB code: 1c5p:

Magnesium binding site 1 out of 1 in 1c5p

Go back to Magnesium Binding Sites List in 1c5p
Magnesium binding site 1 out of 1 in the Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg263

b:18.9
occ:0.87
 HA3 A:GLY197 2.3 12.3 1.0
H2 A:HOH250 2.5 18.4 1.0
O A:SER139 2.7 14.8 1.0
HA3 A:GLY140 2.7 12.7 1.0
HA3 A:GLY43 2.8 10.1 1.0
O A:ASP194 2.9 13.4 1.0
HA A:ASP194 3.0 14.1 1.0
HA2 A:GLY140 3.0 12.4 1.0
O A:HOH250 3.0 16.6 1.0
OE1 A:GLN30 3.2 18.1 1.0
CA A:GLY197 3.3 11.6 1.0
HD2 A:PRO198 3.3 14.4 1.0
CA A:GLY140 3.3 12.8 1.0
H1 A:HOH250 3.4 17.4 1.0
H A:GLY197 3.4 12.7 1.0
HE21 A:GLN30 3.5 15.8 1.0
HA2 A:GLY197 3.6 11.9 1.0
C A:ASP194 3.6 12.8 1.0
C A:SER139 3.7 15.0 1.0
HB3 A:ASP194 3.7 12.4 1.0
N A:GLY197 3.7 12.2 1.0
CA A:ASP194 3.7 14.2 1.0
CA A:GLY43 3.8 9.6 1.0
N A:GLY140 4.0 14.0 1.0
H A:TRP141 4.0 14.6 1.0
HG23 A:VAL213 4.1 12.4 1.0
CD A:GLN30 4.1 15.3 1.0
NE2 A:GLN30 4.1 14.8 1.0
CD A:PRO198 4.2 13.7 1.0
CB A:ASP194 4.2 13.7 1.0
H A:GLY43 4.2 10.8 1.0
HD3 A:PRO198 4.3 13.7 1.0
HA2 A:GLY43 4.3 9.8 1.0
C A:GLY197 4.3 11.4 1.0
N A:GLY43 4.4 10.1 1.0
OD2 A:ASP194 4.4 14.7 1.0
C A:GLY140 4.6 13.4 1.0
H A:GLY44 4.6 11.9 1.0
N A:PRO198 4.7 12.2 1.0
O A:GLY193 4.7 15.2 1.0
O A:SER195 4.7 11.2 1.0
N A:TRP141 4.7 13.7 1.0
C A:GLY43 4.7 9.7 1.0
HE3 A:TRP141 4.8 14.1 1.0
CG A:ASP194 4.8 14.8 1.0
N A:SER195 4.9 13.1 1.0
C A:GLY196 4.9 11.2 1.0
HG21 A:VAL213 4.9 12.0 1.0
H A:SER139 4.9 16.7 1.0
CG2 A:VAL213 5.0 12.2 1.0
HB A:VAL213 5.0 12.5 1.0
H A:GLY140 5.0 13.1 1.0
HE1 A:HIS40 5.0 14.1 1.0
N A:GLY44 5.0 12.0 1.0
HD13 A:LEU155 5.0 13.5 1.0

Reference:

B.A.Katz, R.Mackman, C.Luong, K.Radika, A.Martelli, P.A.Sprengeler, J.Wang, H.Chan, L.Wong. Structural Basis For Selectivity of A Small Molecule, S1-Binding, Submicromolar Inhibitor of Urokinase-Type Plasminogen Activator. Chem.Biol. V. 7 299 2000.
ISSN: ISSN 1074-5521
PubMed: 10779411
DOI: 10.1016/S1074-5521(00)00104-6
Page generated: Tue Aug 13 02:19:17 2024

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