Iodine in PDB 2ow0: Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor

All present enzymatic activity of Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor:
3.4.24.35;

The structure of Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor, PDB code: 2ow0 was solved by A.Tochowicz, W.Bode, K.Maskos, P.Goettig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.190, 55.190, 260.361, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 27.1

The structure of Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor also contains other interesting chemical elements:

Chlorine	(Cl)	6 atoms
Calcium	(Ca)	8 atoms
Zinc	(Zn)	4 atoms

The binding sites of Iodine atom in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor (pdb code 2ow0). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor, PDB code: 2ow0:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:35.0 occ:1.00 I A:6MR501 0.0 35.0 1.0 CAT A:6MR501 2.1 25.6 1.0 CAJ A:6MR501 3.0 22.9 1.0 CAU A:6MR501 3.1 24.3 1.0 O A:HOH556 3.5 21.7 1.0 CD1 A:LEU418 3.7 18.6 1.0 O A:LEU418 4.1 15.7 1.0 O A:HOH617 4.2 25.2 1.0 CA A:LEU418 4.3 16.1 1.0 O A:HOH616 4.3 19.8 1.0 CAK A:6MR501 4.4 21.8 1.0 O A:ARG424 4.4 23.6 1.0 CAV A:6MR501 4.4 22.6 1.0 O A:HOH615 4.5 33.2 1.0 O A:HOH571 4.5 17.5 1.0 CB A:LEU397 4.6 15.3 1.0 C A:LEU418 4.6 15.7 1.0 CD1 A:LEU397 4.7 18.4 1.0 O A:ALA417 4.8 15.8 1.0 CD2 A:LEU397 4.9 18.8 1.0 CAL A:6MR501 4.9 21.4 1.0 CG A:LEU418 4.9 17.0 1.0 CB A:LEU418 5.0 15.8 1.0

Iodine binding site 2 out of 2 in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:I502 b:41.5 occ:1.00 I B:6MR502 0.0 41.5 1.0 CAT B:6MR502 2.1 34.8 1.0 CAJ B:6MR502 3.0 34.5 1.0 CAU B:6MR502 3.0 32.1 1.0 O B:HOH600 3.3 32.1 1.0 CD1 B:LEU418 3.8 18.5 1.0 O B:LEU418 4.2 18.8 1.0 O B:HOH598 4.2 23.2 1.0 O B:HOH572 4.3 29.8 1.0 CAK B:6MR502 4.4 31.9 1.0 CAV B:6MR502 4.4 29.7 1.0 CA B:LEU418 4.4 21.2 1.0 O B:ARG424 4.4 29.8 1.0 O B:HOH566 4.6 26.5 1.0 CB B:LEU397 4.6 15.3 1.0 O B:ALA417 4.7 21.9 1.0 CD1 B:LEU397 4.7 17.5 1.0 C B:LEU418 4.8 20.1 1.0 CAL B:6MR502 4.9 28.1 1.0 CG B:LEU418 4.9 19.8 1.0 N B:ARG424 5.0 27.8 1.0 CD2 B:LEU397 5.0 17.3 1.0

A.Tochowicz, K.Maskos, R.Huber, R.Oltenfreiter, V.Dive, A.Yiotakis, M.Zanda, W.Bode, P.Goettig. Crystal Structures of Mmp-9 Complexes with Five Inhibitors: Contribution of the Flexible ARG424 Side-Chain to Selectivity. J.Mol.Biol. V. 371 989 2007.
ISSN: ISSN 0022-2836
PubMed: 17599356
DOI: 10.1016/J.JMB.2007.05.068