Iodine in PDB 2q7r: Crystal Structure of Human Flap with An Iodinated Analog of Mk-591

The structure of Crystal Structure of Human Flap with An Iodinated Analog of Mk-591, PDB code: 2q7r was solved by A.D.Ferguson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 4.00
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	180.660, 180.660, 139.990, 90.00, 90.00, 90.00
R / Rfree (%)	26.8 / 28.1

The binding sites of Iodine atom in the Crystal Structure of Human Flap with An Iodinated Analog of Mk-591 (pdb code 2q7r). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Crystal Structure of Human Flap with An Iodinated Analog of Mk-591, PDB code: 2q7r:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Crystal Structure of Human Flap with An Iodinated Analog of Mk-591


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 Human Flap with An Iodinated Analog of Mk-591 within 5.0Å range: probe atom residue distance (Å) B Occ C:I501 b:0.2 occ:1.00 I25 C:3CS501 0.0 0.2 1.0 C24 C:3CS501 2.0 0.2 1.0 C21 C:3CS501 3.0 0.2 1.0 C22 C:3CS501 3.0 0.2 1.0 CB A:PHE25 3.8 0.2 1.0 CG A:PHE25 4.2 0.0 1.0 C20 C:3CS501 4.3 0.2 1.0 C23 C:3CS501 4.3 0.2 1.0 CD2 A:PHE25 4.5 0.4 1.0 CA A:PHE25 4.6 0.2 1.0 C19 C:3CS501 4.8 0.2 1.0 CD1 A:PHE25 5.0 0.3 1.0

Iodine binding site 2 out of 6 in the Crystal Structure of Human Flap with An Iodinated Analog of Mk-591


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 Human Flap with An Iodinated Analog of Mk-591 within 5.0Å range: probe atom residue distance (Å) B Occ B:I502 b:0.3 occ:1.00 I25 B:3CS502 0.0 0.3 1.0 C24 B:3CS502 2.0 0.3 1.0 C22 B:3CS502 3.0 0.3 1.0 C21 B:3CS502 3.0 0.3 1.0 CB C:PHE25 3.8 0.1 1.0 CG C:PHE25 4.2 0.8 1.0 CD2 C:PHE25 4.3 0.5 1.0 C23 B:3CS502 4.3 0.3 1.0 C20 B:3CS502 4.3 0.3 1.0 CA C:PHE25 4.6 0.7 1.0 C19 B:3CS502 4.9 0.3 1.0

Iodine binding site 3 out of 6 in the Crystal Structure of Human Flap with An Iodinated Analog of Mk-591


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 Human Flap with An Iodinated Analog of Mk-591 within 5.0Å range: probe atom residue distance (Å) B Occ A:I503 b:0.9 occ:1.00 I25 A:3CS503 0.0 0.9 1.0 C24 A:3CS503 2.0 0.9 1.0 C21 A:3CS503 2.9 0.9 1.0 C22 A:3CS503 3.0 0.9 1.0 CB B:PHE25 3.8 0.8 1.0 C20 A:3CS503 4.2 0.9 1.0 C23 A:3CS503 4.3 0.9 1.0 CG B:PHE25 4.4 0.3 1.0 CA B:PHE25 4.8 0.6 1.0 C19 A:3CS503 4.8 0.9 1.0 CD2 B:PHE25 4.9 0.7 1.0

Iodine binding site 4 out of 6 in the Crystal Structure of Human Flap with An Iodinated Analog of Mk-591


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Human Flap with An Iodinated Analog of Mk-591 within 5.0Å range: probe atom residue distance (Å) B Occ F:I504 b:0.1 occ:1.00 I25 F:3CS504 0.0 0.1 1.0 C24 F:3CS504 2.1 0.1 1.0 C21 F:3CS504 3.0 0.1 1.0 C22 F:3CS504 3.1 0.1 1.0 CB D:PHE25 4.0 0.8 1.0 C20 F:3CS504 4.4 0.1 1.0 C23 F:3CS504 4.5 0.1 1.0 CG D:PHE25 4.6 0.3 1.0 CG1 D:VAL21 4.8 85.4 1.0 CA D:PHE25 4.8 0.6 1.0 C19 F:3CS504 5.0 0.1 1.0 CD1 D:PHE25 5.0 0.8 1.0

Iodine binding site 5 out of 6 in the Crystal Structure of Human Flap with An Iodinated Analog of Mk-591


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Human Flap with An Iodinated Analog of Mk-591 within 5.0Å range: probe atom residue distance (Å) B Occ D:I505 b:0.5 occ:1.00 I25 D:3CS505 0.0 0.5 1.0 C24 D:3CS505 2.1 0.5 1.0 C21 D:3CS505 3.0 0.5 1.0 C22 D:3CS505 3.0 0.5 1.0 CB E:PHE25 4.1 0.3 1.0 C20 D:3CS505 4.3 0.5 1.0 C23 D:3CS505 4.3 0.5 1.0 CG E:PHE25 4.6 0.0 1.0 C19 D:3CS505 4.9 0.5 1.0 CA E:PHE25 4.9 0.2 1.0

Iodine binding site 6 out of 6 in the Crystal Structure of Human Flap with An Iodinated Analog of Mk-591


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Human Flap with An Iodinated Analog of Mk-591 within 5.0Å range: probe atom residue distance (Å) B Occ E:I506 b:0.7 occ:1.00 I25 E:3CS506 0.0 0.7 1.0 C24 E:3CS506 2.1 0.7 1.0 C22 E:3CS506 2.9 0.7 1.0 C21 E:3CS506 3.1 0.7 1.0 CB F:PHE25 3.7 0.8 1.0 C23 E:3CS506 4.3 0.7 1.0 CG F:PHE25 4.3 0.8 1.0 C20 E:3CS506 4.4 0.7 1.0 CD2 F:PHE25 4.5 0.1 1.0 CA F:PHE25 4.7 0.4 1.0 C19 E:3CS506 4.9 0.7 1.0

A.D.Ferguson, B.M.Mckeever, S.Xu, D.Wisniewski, D.K.Miller, T.T.Yamin, R.H.Spencer, L.Chu, F.Ujjainwalla, B.R.Cunningham, J.F.Evans, J.W.Becker. Crystal Structure of Inhibitor-Bound Human 5-Lipoxygenase-Activating Protein. Science V. 317 510 2007.
ISSN: ISSN 0036-8075
PubMed: 17600184
DOI: 10.1126/SCIENCE.1144346