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Iodine in PDB 5qhl: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A

Protein crystallography data

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A, PDB code: 5qhl was solved by D.M.Pinkas, J.C.Bufton, A.E.Fox, R.Talon, T.Krojer, A.Douangamath, P.Collins, R.Zhang, F.Von Delft, C.Bountra, C.H.Arrowsmith, A.Edwards, A.N.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 62.75 / 1.68
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 37.730, 74.390, 63.160, 90.00, 96.57, 90.00
R / Rfree (%) 17.1 / 21.7

Iodine Binding Sites:

The binding sites of Iodine atom in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A (pdb code 5qhl). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A, PDB code: 5qhl:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 5qhl

Go back to Iodine Binding Sites List in 5qhl
Iodine binding site 1 out of 4 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:42.9
occ:1.00
O A:HOH512 2.8 51.4 1.0
O A:HOH427 3.4 21.6 1.0
CB A:LYS141 3.8 19.8 1.0
CA A:LYS141 3.9 18.1 1.0
CG A:LYS141 3.9 24.3 1.0
CD A:LYS144 4.1 27.2 1.0
N A:LYS141 4.5 15.3 1.0
CD A:LYS141 4.6 29.0 1.0
CE A:LYS144 4.6 27.1 1.0
CE A:LYS141 4.7 38.8 1.0
O A:HOH498 4.7 73.8 1.0
CB A:LYS144 5.0 20.7 1.0

Iodine binding site 2 out of 4 in 5qhl

Go back to Iodine Binding Sites List in 5qhl
Iodine binding site 2 out of 4 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:0.5
occ:1.00
OG A:SER249 3.5 25.3 1.0
CB A:SER249 3.6 23.9 1.0
CE A:MET247 3.9 29.2 1.0
NE2 A:HIS254 4.3 21.5 1.0
SD A:MET247 4.9 38.6 1.0
O B:HOH464 4.9 55.2 1.0
CE1 A:HIS254 5.0 22.6 1.0
CZ2 A:TRP248 5.0 27.3 0.2

Iodine binding site 3 out of 4 in 5qhl

Go back to Iodine Binding Sites List in 5qhl
Iodine binding site 3 out of 4 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:0.6
occ:1.00
CB A:CYS197 3.6 39.1 1.0
O A:HOH533 3.9 36.0 1.0
SG A:CYS197 3.9 43.5 1.0
CE2 A:PHE163 3.9 26.7 1.0
CB A:GLN195 4.2 37.8 1.0
O A:GLN195 4.2 38.3 1.0
CD2 A:PHE163 4.5 24.0 1.0
CA A:CYS197 4.6 35.8 1.0
N A:CYS197 4.8 37.5 1.0
C A:GLN195 4.9 38.1 1.0
CG2 A:VAL167 4.9 23.5 1.0
CZ A:PHE163 4.9 26.1 1.0

Iodine binding site 4 out of 4 in 5qhl

Go back to Iodine Binding Sites List in 5qhl
Iodine binding site 4 out of 4 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000551A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:41.3
occ:1.00
O A:HOH479 3.0 55.4 1.0
N A:VAL282 3.5 19.3 1.0
CA A:CYS281 3.9 20.6 1.0
CB A:CYS281 4.1 21.3 1.0
NH2 A:ARG208 4.1 19.3 1.0
C A:CYS281 4.2 21.3 1.0
CB A:VAL282 4.3 24.9 1.0
CG2 A:VAL282 4.3 26.4 1.0
SG A:CYS281 4.4 30.9 1.0
CA A:VAL282 4.5 21.3 1.0
O A:VAL282 4.9 22.6 1.0
CZ A:ARG208 5.0 18.6 1.0
O A:SER280 5.0 19.4 1.0

Reference:

D.M.Pinkas, J.C.Bufton, A.E.Fox, R.Talon, T.Krojer, A.Douangamath, P.Collins, R.Zhang, F.Von Delft, C.Bountra, C.H.Arrowsmith, A.Edwards, A.N.Bullock. Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) To Be Published.
Page generated: Sun Aug 11 21:44:55 2024

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