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Calcium in PDB 1c5q: 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: 1c5q 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 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.870, 64.110, 69.490, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 22.1

Other elements in 1c5q:

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:

Iodine (I) 1 atom
Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator (pdb code 1c5q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator, PDB code: 1c5q:

Calcium binding site 1 out of 1 in 1c5q

Go back to Calcium Binding Sites List in 1c5q
Calcium 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 Calcium with other atoms in the Ca 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:Ca247

b:30.2
occ:1.00
 O A:VAL75 2.1 17.0 1.0
O A:ASN72 2.2 15.4 1.0
O A:HOH248 2.3 18.9 1.0
O A:HOH560 2.3 17.8 1.0
OE2 A:GLU70 2.4 17.2 1.0
OE2 A:GLU80 2.5 15.4 1.0
H1 A:HOH248 3.0 20.9 1.0
H1 A:HOH560 3.0 17.1 1.0
H2 A:HOH248 3.1 21.4 1.0
H2 A:HOH560 3.1 17.8 1.0
HA A:VAL76 3.2 20.1 1.0
C A:VAL75 3.3 18.0 1.0
CD A:GLU70 3.4 19.6 1.0
C A:ASN72 3.4 17.6 1.0
H A:VAL75 3.4 20.2 1.0
HA A:ILE73 3.5 17.7 1.0
H A:GLU77 3.5 21.8 1.0
CD A:GLU80 3.6 17.1 1.0
HG2 A:GLU80 3.6 17.2 1.0
H A:ASP71 3.7 14.4 1.0
OE1 A:GLU70 3.7 17.6 1.0
HG3 A:GLU77 3.7 20.6 1.0
HB3 A:ASN72 3.7 16.9 1.0
N A:VAL75 4.0 18.8 1.0
CA A:VAL76 4.0 19.7 1.0
N A:VAL76 4.0 16.0 1.0
CG A:GLU80 4.1 17.2 1.0
H A:ASN72 4.1 18.9 1.0
HA A:GLU70 4.1 17.7 1.0
CA A:ILE73 4.1 17.7 1.0
CA A:VAL75 4.2 19.4 1.0
N A:ILE73 4.2 16.1 1.0
N A:GLU77 4.2 19.9 1.0
HG3 A:GLU80 4.2 17.5 1.0
N A:ASN72 4.2 15.8 1.0
CA A:ASN72 4.3 17.0 1.0
HB A:VAL75 4.3 18.9 1.0
OE2 A:GLU77 4.3 20.5 1.0
C A:ILE73 4.3 18.2 1.0
O A:HOH381 4.4 18.0 1.0
CB A:ASN72 4.5 17.4 1.0
HB3 A:GLU70 4.5 16.2 1.0
HB2 A:GLU77 4.6 19.8 1.0
CG A:GLU77 4.6 19.9 1.0
C A:VAL76 4.6 22.4 1.0
N A:ASP71 4.6 16.1 1.0
N A:ASN74 4.6 19.6 1.0
OE1 A:GLU80 4.6 18.1 1.0
CG A:GLU70 4.7 17.2 1.0
H A:ASN74 4.7 18.7 1.0
O A:ILE73 4.7 18.4 1.0
CB A:VAL75 4.8 18.7 1.0
HG22 A:VAL76 4.8 18.0 1.0
CB A:GLU70 4.9 16.5 1.0
CD A:GLU77 4.9 22.2 1.0
CA A:GLU70 4.9 15.7 1.0
C A:ASP71 5.0 18.8 1.0
CB A:GLU77 5.0 19.6 1.0
H2 A:HOH277 5.0 17.0 1.0
H A:VAL76 5.0 18.1 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: Sat Dec 12 02:50:51 2020

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