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Iodine in PDB 5qhi: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human FAM83B in Complex with FMOPL000271A

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 FMOPL000271A, PDB code: 5qhi 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) 62.67 / 1.73
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 37.470, 74.220, 63.050, 90.00, 96.29, 90.00
R / Rfree (%) 17.4 / 22.2

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 FMOPL000271A (pdb code 5qhi). 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 FMOPL000271A, PDB code: 5qhi:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in 5qhi

Go back to Iodine Binding Sites List in 5qhi
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 FMOPL000271A


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 FMOPL000271A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:33.7
occ:1.00
O A:HOH506 2.3 41.1 1.0
O A:HOH429 3.4 19.4 1.0
CB A:LYS141 3.7 19.3 1.0
CA A:LYS141 3.8 15.6 1.0
CG A:LYS141 4.0 21.7 1.0
CD A:LYS144 4.0 23.1 1.0
N A:LYS141 4.5 14.0 1.0
CE A:LYS144 4.6 21.3 1.0
CD A:LYS141 4.6 25.4 1.0
CE A:LYS141 4.8 33.8 1.0
CB A:LYS144 4.9 18.8 1.0
C A:LYS141 5.0 15.2 1.0

Iodine binding site 2 out of 4 in 5qhi

Go back to Iodine Binding Sites List in 5qhi
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 FMOPL000271A


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 FMOPL000271A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:0.6
occ:1.00
OG A:SER249 3.2 21.1 1.0
NE2 A:HIS254 3.5 18.2 1.0
CE A:MET247 3.8 21.9 1.0
CB A:SER249 3.8 19.6 1.0
O B:HOH431 3.9 48.9 1.0
SD A:MET247 4.4 32.4 1.0
CE1 A:HIS254 4.4 19.7 1.0
CD2 A:HIS254 4.5 18.9 1.0

Iodine binding site 3 out of 4 in 5qhi

Go back to Iodine Binding Sites List in 5qhi
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 FMOPL000271A


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 FMOPL000271A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:0.9
occ:1.00
CB A:CYS197 3.8 32.8 1.0
O A:HOH531 3.9 24.7 1.0
CE2 A:PHE163 4.1 26.0 1.0
O A:GLN195 4.2 35.8 1.0
SG A:CYS197 4.2 36.6 1.0
CB A:GLN195 4.4 33.2 1.0
CD2 A:PHE163 4.6 23.4 1.0
CA A:CYS197 4.9 33.2 1.0
C A:GLN195 5.0 33.7 1.0

Iodine binding site 4 out of 4 in 5qhi

Go back to Iodine Binding Sites List in 5qhi
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 FMOPL000271A


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 FMOPL000271A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:33.6
occ:1.00
O A:HOH495 2.7 36.0 1.0
N A:VAL282 3.5 17.6 1.0
CA A:CYS281 4.0 18.9 1.0
CB A:CYS281 4.0 21.0 1.0
NH2 A:ARG208 4.2 18.6 1.0
C A:CYS281 4.3 17.9 1.0
CB A:VAL282 4.3 20.9 1.0
SG A:CYS281 4.3 27.2 1.0
CG2 A:VAL282 4.4 22.0 1.0
CA A:VAL282 4.5 19.0 1.0
O A:VAL282 4.9 18.3 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 Dec 13 19:40:56 2020

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