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Iodine in PDB 1c5x: 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:
3.4.21.73;

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: 1c5x 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 / 1.75
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 82.090, 49.780, 66.650, 90.00, 113.29, 90.00
R / Rfree (%) 19.5 / 24.4

Iodine Binding Sites:

The binding sites of Iodine atom in the Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator (pdb code 1c5x). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Structural Basis For Selectivity of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor of Urokinase Type Plasminogen Activator, PDB code: 1c5x:

Iodine binding site 1 out of 1 in 1c5x

Go back to Iodine Binding Sites List in 1c5x
Iodine 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 Iodine with other atoms in the I 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
B:I251

b:19.4
occ:1.01
 I9 B:ESI251 0.0 19.4 1.0
C9 B:ESI251 2.1 15.6 1.0
HG3 B:GLN192 2.9 20.3 0.6
H8 B:ESI251 2.9 16.9 1.0
C8 B:ESI251 2.9 16.3 1.0
H5 B:ESI251 3.0 11.4 1.0
HG2 B:GLN192 3.1 19.4 0.6
C4 B:ESI251 3.1 13.4 1.0
H2 B:HOH507 3.3 16.9 1.0
H1 B:HOH507 3.3 16.4 1.0
CG B:GLN192 3.4 19.1 0.6
C5 B:ESI251 3.4 12.6 1.0
HE22 B:GLN192 3.5 21.4 0.6
H B:GLY219 3.7 14.4 1.0
HB2 B:GLN192 3.8 13.1 0.3
O B:HOH507 3.8 15.9 1.0
NE2 B:GLN192 3.9 22.9 0.6
O B:GLY216 3.9 12.8 1.0
CD B:GLN192 3.9 22.7 0.6
H2 B:HOH433 3.9 23.9 1.0
H2 B:HOH539 3.9 33.4 1.0
H2 B:HOH453 4.0 49.6 1.0
HA2 B:GLY219 4.2 14.3 1.0
SG B:CYS220 4.2 9.6 1.0
O B:HOH433 4.2 21.5 1.0
C7 B:ESI251 4.3 14.8 1.0
O B:GLY219 4.3 13.1 1.0
N B:GLY219 4.3 16.2 1.0
O B:HOH453 4.4 52.4 1.0
C3 B:ESI251 4.4 12.2 1.0
H B:GLN192 4.4 13.2 1.0
HE21 B:GLN192 4.6 22.4 0.6
C B:GLY219 4.6 13.4 1.0
CA B:GLY219 4.6 13.9 1.0
CB B:GLN192 4.7 12.5 0.3
O B:HOH539 4.8 34.1 1.0
OE1 B:GLN192 4.8 10.7 0.3
C B:GLY216 4.8 15.1 1.0
HG3 B:GLN192 4.8 11.8 0.3
OE1 B:GLN192 4.8 24.5 0.6
HA B:CYS191 4.8 7.1 1.0
C1 B:ESI251 4.8 10.5 1.0
CB B:GLN192 4.8 17.7 0.6
N B:GLN192 4.9 13.3 1.0
HA B:ARG217 4.9 17.1 1.0
C6 B:ESI251 4.9 12.3 1.0
HH11 B:ESI251 5.0 8.6 1.0
O B:HOH601 5.0 41.2 1.0
H1 B:HOH433 5.0 21.6 1.0
H B:GLY216 5.0 5.4 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: Sun Aug 11 09:29:52 2024

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