Atomistry » Zinc » PDB 2wfq-2wwn » 2wo9
Atomistry »
  Zinc »
    PDB 2wfq-2wwn »
      2wo9 »

Zinc in PDB 2wo9: MMP12 Complex with A Beta Hydroxy Carboxylic Acid

Enzymatic activity of MMP12 Complex with A Beta Hydroxy Carboxylic Acid

All present enzymatic activity of MMP12 Complex with A Beta Hydroxy Carboxylic Acid:
3.4.24.65;

Protein crystallography data

The structure of MMP12 Complex with A Beta Hydroxy Carboxylic Acid, PDB code: 2wo9 was solved by I.P.Holmes, S.Gaines, S.P.Watson, O.Lorthioir, A.Walker, S.J.Baddeley, S.Herbert, D.Egan, M.A.Convery, O.M.P.Singh, J.W.Gross, J.M.Strelow, R.H.Smith, A.J.Amour, D.Brown, S.L.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.88 / 1.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 46.352, 65.291, 69.356, 66.15, 83.84, 71.38
R / Rfree (%) 17.219 / 21.754

Other elements in 2wo9:

The structure of MMP12 Complex with A Beta Hydroxy Carboxylic Acid also contains other interesting chemical elements:

Calcium (Ca) 7 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid (pdb code 2wo9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid, PDB code: 2wo9:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 2wo9

Go back to Zinc Binding Sites List in 2wo9
Zinc binding site 1 out of 8 in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of MMP12 Complex with A Beta Hydroxy Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1268

b:26.2
occ:1.00
 O20 A:0681271 2.0 21.5 1.0
NE2 A:HIS228 2.1 24.2 1.0
NE2 A:HIS222 2.1 20.9 1.0
NE2 A:HIS218 2.1 23.6 1.0
C18 A:0681271 2.6 24.0 1.0
O19 A:0681271 2.7 22.3 1.0
CD2 A:HIS228 3.1 27.5 1.0
CE1 A:HIS218 3.1 23.6 1.0
CD2 A:HIS222 3.1 22.5 1.0
CE1 A:HIS228 3.1 29.7 1.0
CE1 A:HIS222 3.1 25.7 1.0
CD2 A:HIS218 3.1 20.2 1.0
C17 A:0681271 4.1 23.7 1.0
ND1 A:HIS228 4.2 30.0 1.0
ND1 A:HIS218 4.2 22.6 1.0
O A:HOH2163 4.2 30.7 1.0
CG A:HIS228 4.2 27.4 1.0
O A:HOH2162 4.2 31.0 1.0
ND1 A:HIS222 4.2 23.0 1.0
CG A:HIS218 4.2 18.5 1.0
CG A:HIS222 4.3 19.1 1.0
C3 A:0681271 4.4 24.4 1.0
C2 A:0681271 4.8 24.5 1.0
OE2 A:GLU219 4.8 23.0 1.0
O A:HOH2138 4.8 39.2 1.0
CE A:MET236 4.9 27.1 1.0
O A:HOH2108 4.9 43.6 1.0
O A:HOH2104 5.0 39.9 1.0

Zinc binding site 2 out of 8 in 2wo9

Go back to Zinc Binding Sites List in 2wo9
Zinc binding site 2 out of 8 in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of MMP12 Complex with A Beta Hydroxy Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1269

b:29.2
occ:1.00
 OD1 A:ASP170 2.0 30.6 1.0
NE2 A:HIS183 2.1 26.9 1.0
ND1 A:HIS196 2.1 29.9 1.0
NE2 A:HIS168 2.1 23.1 1.0
CG A:ASP170 2.9 32.6 1.0
CE1 A:HIS183 3.0 25.4 1.0
CE1 A:HIS196 3.0 26.7 1.0
CD2 A:HIS168 3.1 28.0 1.0
CE1 A:HIS168 3.1 25.1 1.0
CG A:HIS196 3.1 25.0 1.0
CD2 A:HIS183 3.2 28.4 1.0
OD2 A:ASP170 3.2 32.5 1.0
CB A:HIS196 3.5 22.1 1.0
ND1 A:HIS183 4.1 26.5 1.0
NE2 A:HIS196 4.2 29.8 1.0
ND1 A:HIS168 4.2 27.3 1.0
CG A:HIS168 4.2 29.2 1.0
O A:HIS172 4.2 31.0 1.0
CE1 A:PHE185 4.2 35.1 1.0
CD2 A:HIS196 4.2 25.2 1.0
CG A:HIS183 4.3 23.8 1.0
CB A:ASP170 4.3 35.8 1.0
CZ A:PHE185 4.4 34.8 1.0
CZ A:PHE174 4.6 23.3 1.0
CE2 A:PHE174 4.7 25.6 1.0
CB A:HIS172 4.9 33.8 1.0
O A:HOH2092 5.0 36.4 1.0

Zinc binding site 3 out of 8 in 2wo9

Go back to Zinc Binding Sites List in 2wo9
Zinc binding site 3 out of 8 in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of MMP12 Complex with A Beta Hydroxy Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1268

b:21.0
occ:1.00
 O12 B:0231267 2.0 22.9 1.0
NE2 B:HIS218 2.1 17.5 1.0
O16 B:0231267 2.1 17.9 1.0
NE2 B:HIS228 2.1 18.6 1.0
NE2 B:HIS222 2.1 21.8 1.0
N7 B:0231267 2.8 20.0 1.0
C11 B:0231267 2.8 20.9 1.0
CD2 B:HIS218 3.0 17.2 1.0
CD2 B:HIS228 3.1 20.4 1.0
CD2 B:HIS222 3.1 13.8 1.0
CE1 B:HIS222 3.1 20.0 1.0
CE1 B:HIS218 3.1 19.5 1.0
CE1 B:HIS228 3.2 19.9 1.0
O B:HOH2186 3.9 29.1 1.0
C3 B:0231267 4.1 18.6 1.0
CG B:HIS218 4.2 16.4 1.0
ND1 B:HIS218 4.2 15.9 1.0
CG B:HIS228 4.2 20.5 1.0
ND1 B:HIS228 4.2 21.8 1.0
ND1 B:HIS222 4.2 18.9 1.0
CG B:HIS222 4.3 18.1 1.0
O B:HOH2098 4.3 20.2 1.0
C1 B:0231267 4.5 16.8 1.0
C4 B:0231267 4.5 17.5 1.0
OE1 B:GLU219 4.7 18.6 1.0
CE B:MET236 4.8 23.4 1.0
OE2 B:GLU219 4.8 19.9 1.0
C8 B:0231267 4.9 25.3 1.0
O B:HOH2126 5.0 26.2 1.0

Zinc binding site 4 out of 8 in 2wo9

Go back to Zinc Binding Sites List in 2wo9
Zinc binding site 4 out of 8 in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of MMP12 Complex with A Beta Hydroxy Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1269

b:22.8
occ:1.00
 OD1 B:ASP170 2.0 21.0 1.0
ND1 B:HIS196 2.1 20.4 1.0
NE2 B:HIS168 2.1 23.4 1.0
NE2 B:HIS183 2.1 22.1 1.0
CG B:ASP170 2.9 21.7 1.0
CD2 B:HIS168 3.0 22.3 1.0
CE1 B:HIS183 3.0 20.2 1.0
CE1 B:HIS196 3.1 18.3 1.0
CG B:HIS196 3.2 19.5 1.0
CE1 B:HIS168 3.2 23.1 1.0
CD2 B:HIS183 3.2 21.5 1.0
OD2 B:ASP170 3.3 21.4 1.0
CB B:HIS196 3.5 17.8 1.0
CG B:HIS168 4.2 22.6 1.0
ND1 B:HIS183 4.2 21.5 1.0
NE2 B:HIS196 4.2 20.2 1.0
O B:HIS172 4.2 22.2 1.0
ND1 B:HIS168 4.2 22.1 1.0
CB B:ASP170 4.2 23.5 1.0
CD2 B:HIS196 4.3 19.1 1.0
CG B:HIS183 4.3 17.9 1.0
CE1 B:PHE185 4.5 24.6 1.0
CE2 B:PHE174 4.7 24.1 1.0
CZ B:PHE174 4.7 25.4 1.0
CB B:HIS172 4.8 22.4 1.0
CZ B:PHE185 4.8 23.5 1.0

Zinc binding site 5 out of 8 in 2wo9

Go back to Zinc Binding Sites List in 2wo9
Zinc binding site 5 out of 8 in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of MMP12 Complex with A Beta Hydroxy Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn1269

b:25.6
occ:1.00
 O20 C:0681272 2.0 23.7 1.0
NE2 C:HIS228 2.1 23.2 1.0
NE2 C:HIS218 2.1 20.5 1.0
NE2 C:HIS222 2.1 23.9 1.0
O19 C:0681272 2.6 20.7 1.0
C18 C:0681272 2.6 23.6 1.0
CD2 C:HIS228 3.1 26.8 1.0
CD2 C:HIS222 3.1 20.1 1.0
CE1 C:HIS218 3.1 19.2 1.0
CD2 C:HIS218 3.1 18.4 1.0
CE1 C:HIS228 3.1 27.4 1.0
CE1 C:HIS222 3.1 23.6 1.0
O C:HOH2155 4.0 35.1 1.0
C17 C:0681272 4.1 25.4 1.0
ND1 C:HIS218 4.2 19.9 1.0
ND1 C:HIS228 4.2 28.1 1.0
CG C:HIS228 4.2 28.0 1.0
ND1 C:HIS222 4.2 24.5 1.0
CG C:HIS222 4.2 21.9 1.0
CG C:HIS218 4.2 18.5 1.0
C3 C:0681272 4.3 23.0 1.0
O C:HOH2093 4.5 23.8 1.0
C2 C:0681272 4.8 23.1 1.0
O C:HOH2120 4.8 42.8 1.0
CE C:MET236 4.8 21.2 1.0
OE2 C:GLU219 4.8 24.2 1.0

Zinc binding site 6 out of 8 in 2wo9

Go back to Zinc Binding Sites List in 2wo9
Zinc binding site 6 out of 8 in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of MMP12 Complex with A Beta Hydroxy Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn1270

b:24.9
occ:1.00
 OD1 C:ASP170 2.0 24.2 1.0
NE2 C:HIS183 2.1 23.1 1.0
NE2 C:HIS168 2.1 23.6 1.0
ND1 C:HIS196 2.1 22.7 1.0
CG C:ASP170 2.9 24.7 1.0
CD2 C:HIS168 3.0 21.0 1.0
CE1 C:HIS196 3.0 23.8 1.0
CE1 C:HIS183 3.0 22.1 1.0
CD2 C:HIS183 3.1 23.0 1.0
CE1 C:HIS168 3.2 21.3 1.0
OD2 C:ASP170 3.2 24.5 1.0
CG C:HIS196 3.2 21.7 1.0
CB C:HIS196 3.6 20.4 1.0
CG C:HIS168 4.2 20.7 1.0
ND1 C:HIS183 4.2 22.8 1.0
NE2 C:HIS196 4.2 24.2 1.0
CG C:HIS183 4.2 22.9 1.0
ND1 C:HIS168 4.2 19.9 1.0
CD2 C:HIS196 4.3 23.3 1.0
CE1 C:PHE185 4.3 31.2 1.0
CB C:ASP170 4.3 27.2 1.0
CZ C:PHE185 4.4 30.4 1.0
O C:HIS172 4.5 28.4 1.0
CE2 C:PHE174 4.5 22.4 1.0
CZ C:PHE174 4.6 24.1 1.0
O C:HOH2071 4.7 29.4 1.0

Zinc binding site 7 out of 8 in 2wo9

Go back to Zinc Binding Sites List in 2wo9
Zinc binding site 7 out of 8 in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of MMP12 Complex with A Beta Hydroxy Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn1267

b:24.2
occ:1.00
 O12 D:0231266 2.0 25.8 1.0
O16 D:0231266 2.1 21.7 1.0
NE2 D:HIS218 2.1 21.5 1.0
NE2 D:HIS228 2.1 24.3 1.0
NE2 D:HIS222 2.1 24.4 1.0
N7 D:0231266 2.8 21.2 1.0
C11 D:0231266 2.8 21.6 1.0
CD2 D:HIS218 3.0 17.0 1.0
CD2 D:HIS228 3.1 22.8 1.0
CD2 D:HIS222 3.1 18.2 1.0
CE1 D:HIS222 3.2 25.4 1.0
CE1 D:HIS228 3.2 26.5 1.0
CE1 D:HIS218 3.2 18.6 1.0
O D:HOH2143 3.8 27.2 1.0
C3 D:0231266 4.1 19.7 1.0
O D:HOH2142 4.2 18.8 1.0
CG D:HIS218 4.2 19.8 1.0
CG D:HIS228 4.2 22.6 1.0
ND1 D:HIS218 4.3 20.8 1.0
ND1 D:HIS228 4.3 25.7 1.0
ND1 D:HIS222 4.3 24.8 1.0
CG D:HIS222 4.3 25.9 1.0
C4 D:0231266 4.5 19.3 1.0
C1 D:0231266 4.6 16.7 1.0
OE1 D:GLU219 4.6 23.1 1.0
OE2 D:GLU219 4.8 20.0 1.0
C8 D:0231266 4.9 19.9 1.0
CB D:PRO238 4.9 23.1 1.0
CE D:MET236 5.0 21.4 1.0
CA D:PRO238 5.0 22.6 1.0

Zinc binding site 8 out of 8 in 2wo9

Go back to Zinc Binding Sites List in 2wo9
Zinc binding site 8 out of 8 in the MMP12 Complex with A Beta Hydroxy Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of MMP12 Complex with A Beta Hydroxy Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn1268

b:25.2
occ:1.00
 OD1 D:ASP170 2.0 21.3 1.0
NE2 D:HIS183 2.1 23.7 1.0
ND1 D:HIS196 2.1 20.0 1.0
NE2 D:HIS168 2.1 22.3 1.0
CG D:ASP170 3.0 24.8 1.0
CD2 D:HIS168 3.0 26.0 1.0
CE1 D:HIS196 3.0 21.5 1.0
CE1 D:HIS183 3.1 21.4 1.0
CD2 D:HIS183 3.1 21.3 1.0
CG D:HIS196 3.1 23.2 1.0
CE1 D:HIS168 3.2 23.4 1.0
OD2 D:ASP170 3.3 25.8 1.0
CB D:HIS196 3.5 19.4 1.0
NE2 D:HIS196 4.2 24.3 1.0
ND1 D:HIS183 4.2 19.6 1.0
CG D:HIS168 4.2 26.7 1.0
ND1 D:HIS168 4.2 25.5 1.0
CG D:HIS183 4.2 18.4 1.0
CD2 D:HIS196 4.2 21.7 1.0
CB D:ASP170 4.3 25.9 1.0
O D:HIS172 4.3 23.5 1.0
CE1 D:PHE185 4.4 28.4 1.0
CE2 D:PHE174 4.6 24.9 1.0
CZ D:PHE174 4.6 27.3 1.0
CZ D:PHE185 4.8 30.0 1.0
CA D:HIS196 5.0 20.4 1.0
CB D:HIS172 5.0 25.9 1.0

Reference:

I.P.Holmes, S.Gaines, S.P.Watson, O.Lorthioir, A.Walker, S.J.Baddeley, S.Herbert, D.Egan, M.A.Convery, O.M.P.Singh, J.W.Gross, J.M.Strelow, R.H.Smith, A.J.Amour, D.Brown, S.L.Martin. The Identification of Beta-Hydroxy Carboxylic Acids As Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett. V. 19 5760 2009.
ISSN: ISSN 0960-894X
PubMed: 19703773
DOI: 10.1016/J.BMCL.2009.07.155
Page generated: Thu Oct 17 04:57:11 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy