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Iodine in PDB 1gjd: Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets

Enzymatic activity of Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets

All present enzymatic activity of Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets:
3.4.21.73;

Protein crystallography data

The structure of Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets, PDB code: 1gjd was solved by B.A.Katz, P.A.Sprengeler, C.Luong, E.Verner, J.R.Spencer, J.G.Breitenbucher, H.Hui, D.Mcgee, D.Allen, A.Martelli, R.L.Mackman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 1.75
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 81.030, 49.760, 66.150, 90.00, 112.99, 90.00
R / Rfree (%) 18 / 18.9

Other elements in 1gjd:

The structure of Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets (pdb code 1gjd). 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 Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets, PDB code: 1gjd:

Iodine binding site 1 out of 1 in 1gjd

Go back to Iodine Binding Sites List in 1gjd
Iodine binding site 1 out of 1 in the Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I251

b:14.1
occ:1.00
 I13 B:136251 0.0 14.1 1.0
C13 B:136251 2.0 22.5 1.0
C12 B:136251 2.9 19.7 1.0
H12 B:136251 2.9 22.3 1.0
C14 B:136251 3.1 19.9 1.0
HB2 B:SER195 3.1 7.6 1.0
H B:GLY193 3.2 10.0 1.0
O14 B:136251 3.2 14.6 1.0
HA2 B:GLY193 3.2 12.3 1.0
O B:VAL41 3.4 10.1 1.0
H1 B:HOH476 3.5 30.9 1.0
HE2 B:HIS57 3.6 20.4 1.0
SG B:CYS42 3.7 12.9 1.0
H1 B:HOH423 3.7 44.6 1.0
N B:GLY193 3.8 11.6 1.0
CB B:SER195 4.0 7.7 1.0
CA B:GLY193 4.0 12.5 1.0
HG B:SER195 4.0 11.2 1.0
OG B:SER195 4.0 9.0 1.0
O B:HOH476 4.1 28.5 1.0
H2 B:HOH476 4.1 30.4 1.0
H B:SER195 4.2 10.0 1.0
HH B:TYR151 4.2 14.2 1.0
C11 B:136251 4.3 22.4 1.0
O B:HOH423 4.3 44.7 1.0
HG3 B:GLN192 4.4 18.5 0.9
C9 B:136251 4.4 21.7 1.0
NE2 B:HIS57 4.4 20.5 1.0
HB3 B:SER195 4.5 7.2 1.0
OH B:TYR151 4.5 14.6 1.0
H2 B:HOH380 4.5 59.6 1.0
C B:VAL41 4.6 8.7 1.0
HA B:CYS42 4.6 9.4 1.0
C B:GLY193 4.6 13.5 1.0
HD2 B:HIS57 4.8 16.9 1.0
C10 B:136251 4.8 20.8 1.0
HG2 B:GLN192 4.8 17.5 0.9
HA3 B:GLY193 4.9 13.6 1.0
N B:SER195 4.9 9.9 1.0
HA B:GLN192 4.9 13.6 1.0
HN3 B:136251 4.9 17.0 1.0
HA B:CYS58 4.9 13.8 1.0
CD2 B:HIS57 5.0 18.4 1.0

Reference:

B.A.Katz, P.A.Sprengeler, C.Luong, E.Verner, K.Elrod, M.Kirtley, J.Janc, J.R.Spencer, J.G.Breitenbucher, H.Hui, D.Mcgee, D.Allen, A.Martelli, R.L.Mackman. Engineering Inhibitors Highly Selective For the S1 Sites of SER190 Trypsin-Like Serine Protease Drug Targets. Chem.Biol. V. 8 1107 2001.
ISSN: ISSN 1074-5521
PubMed: 11731301
DOI: 10.1016/S1074-5521(01)00084-9
Page generated: Sun Aug 11 09:58:36 2024

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