Iodine in PDB 6b74: Structures of the Two-Chain Human Plasma Factor Xiia Co-Crystallized with Potent Inhibitors

All present enzymatic activity of Structures of the Two-Chain Human Plasma Factor Xiia Co-Crystallized with Potent Inhibitors:
3.4.21.38;

The structure of Structures of the Two-Chain Human Plasma Factor Xiia Co-Crystallized with Potent Inhibitors, PDB code: 6b74 was solved by A.A.Dementiev, J.R.Partridge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.22 / 2.32
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	80.289, 80.289, 121.731, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.2

The binding sites of Iodine atom in the Structures of the Two-Chain Human Plasma Factor Xiia Co-Crystallized with Potent Inhibitors (pdb code 6b74). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Structures of the Two-Chain Human Plasma Factor Xiia Co-Crystallized with Potent Inhibitors, PDB code: 6b74:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Structures of the Two-Chain Human Plasma Factor Xiia Co-Crystallized with Potent Inhibitors


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structures of the Two-Chain Human Plasma Factor Xiia Co-Crystallized with Potent Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ B:I302 b:67.9 occ:1.00 CD B:PRO178 4.2 56.0 1.0 CD2 B:LEU177 4.3 44.9 1.0 NE2 B:GLN100 4.4 48.1 1.0 CG B:PRO178 4.6 54.0 1.0 OE1 B:GLN100 4.9 60.3 1.0

Iodine binding site 2 out of 2 in the Structures of the Two-Chain Human Plasma Factor Xiia Co-Crystallized with Potent Inhibitors


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structures of the Two-Chain Human Plasma Factor Xiia Co-Crystallized with Potent Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ B:I303 b:76.2 occ:1.00 OG B:SER87 3.3 62.0 1.0 O B:SER87 3.8 69.0 1.0 C B:SER87 3.9 71.3 1.0 C B:TYR88 3.9 68.9 1.0 CA B:TYR88 3.9 70.8 1.0 N B:TYR88 4.0 60.3 1.0 N B:ARG89 4.0 66.8 1.0 CZ3 B:TRP51 4.0 60.6 1.0 CB B:ARG89 4.1 58.1 1.0 CB B:SER87 4.1 59.5 1.0 CB B:ARG107 4.2 64.2 1.0 CH2 B:TRP51 4.3 55.5 1.0 O B:TYR88 4.4 67.4 1.0 O B:LEU105 4.6 65.2 1.0 CA B:ARG89 4.6 59.9 1.0 CA B:SER87 4.6 63.2 1.0 N B:ARG107 4.7 54.1 1.0 NE B:ARG89 4.7 78.5 1.0

A.Dementiev, A.Silva, C.Yee, Z.Li, M.T.Flavin, H.Sham, J.R.Partridge. Structures of Human Plasma Beta-Factor Xiia Cocrystallized with Potent Inhibitors. Blood Adv V. 2 549 2018.
ISSN: ESSN 2473-9537
PubMed: 29519898
DOI: 10.1182/BLOODADVANCES.2018016337