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Iodine in PDB 6n7o: Crystal Structure of GIL01 GP7

Protein crystallography data

The structure of Crystal Structure of GIL01 GP7, PDB code: 6n7o was solved by N.A.Caveney, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.16 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.690, 44.700, 46.300, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 23

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of GIL01 GP7 (pdb code 6n7o). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of GIL01 GP7, PDB code: 6n7o:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in 6n7o

Go back to Iodine Binding Sites List in 6n7o
Iodine binding site 1 out of 3 in the Crystal Structure of GIL01 GP7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of GIL01 GP7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I101

b:23.9
occ:0.65
O B:HOH216 3.6 26.3 1.0
O B:HOH208 3.7 36.4 1.0
NH1 B:ARG28 3.8 24.3 1.0
CD B:LYS4 3.8 25.4 1.0
CG B:LYS4 4.1 26.1 1.0
CB B:GLN31 4.1 27.2 1.0
CB B:LYS4 4.2 20.3 1.0
O B:GLN31 4.2 26.8 1.0
C B:GLN31 4.2 21.2 1.0
N B:VAL32 4.3 21.8 1.0
CG2 B:VAL32 4.4 22.4 1.0
CE B:LYS4 4.4 35.9 1.0
CA B:VAL32 4.4 22.8 1.0
NZ B:LYS4 4.7 36.5 1.0
CZ B:ARG28 4.7 21.4 1.0
NH2 B:ARG28 4.8 21.4 1.0
CA B:GLN31 4.9 17.4 1.0
OE1 B:GLN31 4.9 30.7 1.0

Iodine binding site 2 out of 3 in 6n7o

Go back to Iodine Binding Sites List in 6n7o
Iodine binding site 2 out of 3 in the Crystal Structure of GIL01 GP7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of GIL01 GP7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I101

b:40.1
occ:0.30
NZ A:LYS17 3.2 48.6 1.0
O A:HOH231 3.2 40.6 1.0
N A:SER21 3.4 21.5 1.0
I A:IOD102 3.9 38.0 0.4
CB A:VAL20 4.0 20.3 1.0
CB A:SER21 4.0 23.7 1.0
CA A:VAL20 4.0 21.1 1.0
CD A:LYS17 4.0 27.0 1.0
CE A:LYS17 4.2 28.5 1.0
CG1 A:VAL20 4.2 20.1 1.0
C A:VAL20 4.2 20.4 1.0
CD2 A:TYR24 4.3 30.8 1.0
CA A:SER21 4.3 19.9 1.0
CG A:TYR24 4.6 23.9 1.0
CB A:TYR24 4.6 20.1 1.0
O A:HOH229 4.8 47.5 1.0
CE2 A:TYR24 5.0 34.4 1.0

Iodine binding site 3 out of 3 in 6n7o

Go back to Iodine Binding Sites List in 6n7o
Iodine binding site 3 out of 3 in the Crystal Structure of GIL01 GP7


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of GIL01 GP7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I102

b:38.0
occ:0.36
NZ A:LYS17 3.6 48.6 1.0
I A:IOD101 3.9 40.1 0.3
N A:SER21 3.9 21.5 1.0
O A:VAL19 3.9 18.3 1.0
CA A:VAL20 4.1 21.1 1.0
C A:VAL20 4.3 20.4 1.0
CE A:LYS17 4.4 28.5 1.0
CD A:LYS17 4.4 27.0 1.0
C A:VAL19 4.6 19.5 1.0
CA A:SER21 4.6 19.9 1.0
CG1 B:VAL19 4.7 23.6 1.0
CB A:SER21 4.7 23.7 1.0
N A:VAL20 4.7 18.9 1.0

Reference:

N.A.Caveney, A.Pavlin, G.Caballero, M.Bahun, V.Hodnik, L.De Castro, N.Fornelos, M.Butala, N.C.J.Strynadka. Structural Insights Into Bacteriophage GIL01 GP7 Inhibition of Host Lexa Repressor. Structure V. 27 1094 2019.
ISSN: ISSN 0969-2126
PubMed: 31056420
DOI: 10.1016/J.STR.2019.03.019
Page generated: Sun Dec 13 19:46:28 2020

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