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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 2ow0:

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

Iodine (I) 2 atoms
Calcium (Ca) 8 atoms
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor, PDB code: 2ow0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2ow0

Go back to Chlorine Binding Sites List in 2ow0
Chlorine binding site 1 out of 6 in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl450

b:17.7
occ:1.00
 OG A:SER394 2.8 18.8 1.0
N A:GLY213 3.1 17.8 1.0
CB A:SER394 3.7 17.1 1.0
CA A:GLY213 3.8 18.2 1.0
CD2 A:PHE396 3.8 16.4 1.0
CE2 A:PHE425 3.9 16.6 1.0
C A:LEU212 4.1 16.0 1.0
CB A:PHE396 4.1 15.4 1.0
CA A:LEU212 4.2 15.4 1.0
CB A:LEU212 4.3 14.3 1.0
CG A:PHE396 4.4 15.0 1.0
CD2 A:LEU212 4.5 16.7 1.0
CG A:LEU397 4.5 15.4 1.0
CD2 A:PHE425 4.7 17.6 1.0
CD1 A:LEU397 4.8 18.4 1.0
CE2 A:PHE396 4.8 15.0 1.0
CZ A:PHE425 4.9 18.6 1.0
CA A:SER394 4.9 15.9 1.0
C A:GLY213 4.9 17.3 1.0
N A:LEU397 5.0 14.1 1.0

Chlorine binding site 2 out of 6 in 2ow0

Go back to Chlorine Binding Sites List in 2ow0
Chlorine binding site 2 out of 6 in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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
A:Cl451

b:24.1
occ:1.00
 O A:HOH565 3.1 17.2 1.0
NH1 A:ARG143 3.4 12.6 1.0
CD A:ARG143 3.7 15.9 1.0
CZ A:PHE396 3.7 16.1 1.0
CB A:ARG143 3.9 15.9 1.0
CE1 A:PHE396 4.1 15.5 1.0
CG A:ARG143 4.2 18.6 1.0
CE2 A:PHE396 4.4 15.0 1.0
CZ A:ARG143 4.5 13.9 1.0
NE A:ARG143 4.6 12.9 1.0
CA A:ARG143 5.0 16.6 1.0
O A:ARG143 5.0 15.5 1.0

Chlorine binding site 3 out of 6 in 2ow0

Go back to Chlorine Binding Sites List in 2ow0
Chlorine binding site 3 out of 6 in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl452

b:30.0
occ:1.00
 O A:HOH529 2.8 21.8 1.0
O A:HOH610 3.0 14.9 1.0
O A:HOH524 3.1 19.5 1.0
N A:LEU431 3.3 19.3 1.0
CB A:LEU431 3.5 17.9 1.0
CG A:LEU431 3.6 17.9 1.0
CD A:PRO430 3.6 16.8 1.0
N A:PRO430 3.7 18.1 1.0
CB A:PRO429 3.7 19.6 1.0
CD2 A:LEU147 3.7 18.3 1.0
O A:HOH611 3.9 25.8 1.0
CA A:LEU431 3.9 18.3 1.0
CA A:PRO429 4.0 18.7 1.0
C A:PRO429 4.0 17.2 1.0
CD1 A:LEU431 4.3 19.4 1.0
C A:PRO430 4.3 19.8 1.0
O A:LEU431 4.4 19.6 1.0
CA A:PRO430 4.4 18.4 1.0
C A:LEU431 4.7 19.0 1.0
CB A:PRO430 4.7 17.9 1.0
O A:PRO429 4.7 15.7 1.0
CG A:PRO430 4.8 16.2 1.0
CD2 A:LEU431 4.8 14.1 1.0
CG A:LEU147 4.8 14.6 1.0
CB A:LEU147 4.9 17.3 1.0
CG A:PRO429 4.9 21.5 1.0

Chlorine binding site 4 out of 6 in 2ow0

Go back to Chlorine Binding Sites List in 2ow0
Chlorine binding site 4 out of 6 in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl453

b:21.4
occ:1.00
 N A:TYR128 3.2 15.9 1.0
N B:TYR128 3.2 19.0 1.0
O B:HOH594 3.3 38.1 1.0
CB A:ASN127 3.4 15.9 1.0
O A:HOH580 3.4 46.2 1.0
CA A:ASN127 3.6 17.5 1.0
CB B:ASN127 3.7 17.9 1.0
O B:TYR128 3.8 20.7 1.0
C A:ASN127 3.9 17.0 1.0
CA B:ASN127 4.0 16.8 1.0
CA B:TYR128 4.1 19.3 1.0
C B:ASN127 4.1 17.7 1.0
CB B:TYR128 4.2 20.3 1.0
CA A:TYR128 4.2 15.2 1.0
CD1 A:TYR128 4.2 17.3 1.0
C B:TYR128 4.3 20.4 1.0
CB A:TYR128 4.3 18.2 1.0
O A:TYR128 4.3 16.1 1.0
CD1 B:TYR128 4.3 18.5 1.0
NH2 B:ARG134 4.7 22.8 1.0
C A:TYR128 4.7 15.6 1.0
CG A:ASN127 4.7 17.6 1.0
NH2 A:ARG134 4.8 35.8 1.0
CG B:TYR128 4.8 18.7 1.0
CG A:TYR128 4.8 18.6 1.0
CG B:ASN127 4.8 20.4 1.0

Chlorine binding site 5 out of 6 in 2ow0

Go back to Chlorine Binding Sites List in 2ow0
Chlorine binding site 5 out of 6 in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl450

b:17.4
occ:1.00
 OG B:SER394 2.9 17.7 1.0
N B:GLY213 3.1 17.9 1.0
CB B:SER394 3.8 18.2 1.0
CA B:GLY213 3.8 17.2 1.0
CE2 B:PHE425 3.9 24.9 1.0
CD2 B:PHE396 3.9 19.8 1.0
CB B:PHE396 4.1 17.1 1.0
C B:LEU212 4.1 16.7 1.0
CA B:LEU212 4.2 17.3 1.0
CB B:LEU212 4.4 15.2 1.0
CG B:LEU397 4.4 18.0 1.0
CD2 B:LEU212 4.5 14.9 1.0
CG B:PHE396 4.5 17.4 1.0
CD2 B:PHE425 4.6 24.7 1.0
CZ B:PHE425 4.8 21.9 1.0
CD1 B:LEU397 4.8 17.5 1.0
C B:GLY213 4.9 18.6 1.0
CA B:SER394 4.9 18.7 1.0
CE2 B:PHE396 4.9 20.1 1.0
N B:LEU397 5.0 14.4 1.0

Chlorine binding site 6 out of 6 in 2ow0

Go back to Chlorine Binding Sites List in 2ow0
Chlorine binding site 6 out of 6 in the Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Mmp-9 Active Site Mutant with Iodine-Labeled Carboxylate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl451

b:22.6
occ:1.00
 O B:HOH536 3.1 22.8 1.0
NH1 B:ARG143 3.3 16.6 1.0
CZ B:PHE396 3.6 19.4 1.0
CD B:ARG143 3.6 16.9 1.0
CB B:ARG143 3.9 17.6 1.0
CG B:ARG143 4.0 20.0 1.0
CE1 B:PHE396 4.1 19.0 1.0
CE2 B:PHE396 4.2 20.1 1.0
CZ B:ARG143 4.4 16.9 1.0
NE B:ARG143 4.5 17.4 1.0
CA B:ARG143 4.9 18.3 1.0
O B:ARG143 4.9 18.0 1.0

Reference:

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
Page generated: Sat Jul 20 09:50:00 2024

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