Atomistry » Chlorine » PDB 3unh-3uwb » 3uvc
Atomistry »
  Chlorine »
    PDB 3unh-3uwb »
      3uvc »

Chlorine in PDB 3uvc: MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin

Enzymatic activity of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin

All present enzymatic activity of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin:
3.4.24.65;

Protein crystallography data

The structure of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin, PDB code: 3uvc was solved by D.J.Derbyshire, H.Danielson, S.Nystrum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.49 / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.746, 60.625, 58.403, 90.00, 103.10, 90.00
R / Rfree (%) 13 / 17.4

Other elements in 3uvc:

The structure of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin also contains other interesting chemical elements:

Calcium (Ca) 7 atoms
Zinc (Zn) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin (pdb code 3uvc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin, PDB code: 3uvc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3uvc

Go back to Chlorine Binding Sites List in 3uvc
Chlorine binding site 1 out of 7 in the MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:23.9
occ:0.80
 N A:TYR121 3.2 12.7 1.0
O A:HOH602 3.2 52.3 1.0
NH1 A:ARG127 3.5 23.9 1.0
CA A:ASN120 3.7 11.9 1.0
O A:HOH603 3.7 50.3 1.0
CB A:ASN120 3.9 12.6 1.0
C A:ASN120 3.9 12.7 1.0
CB A:TYR121 4.2 13.2 1.0
CD2 A:TYR121 4.2 15.0 1.0
CA A:TYR121 4.2 13.1 1.0
O A:HOH436 4.3 21.4 1.0
O A:TYR121 4.3 16.7 1.0
CZ A:ARG127 4.5 23.0 1.0
O A:HOH520 4.6 35.5 1.0
CG A:TYR121 4.7 14.1 1.0
C A:TYR121 4.8 13.8 1.0
N A:ASN120 5.0 12.0 1.0

Chlorine binding site 2 out of 7 in 3uvc

Go back to Chlorine Binding Sites List in 3uvc
Chlorine binding site 2 out of 7 in the MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:35.7
occ:0.80
 O A:HOH609 3.1 39.6 0.5
O A:HOH449 3.2 19.9 1.0
O A:HOH410 3.7 18.0 1.0
CG A:LYS148 3.9 19.9 0.5
CB A:LYS148 4.0 16.9 0.5
CA A:LYS148 4.0 15.8 0.5
CA A:LYS148 4.0 15.8 0.5
OG A:SER142 4.0 14.0 0.5
CB A:LYS148 4.1 16.9 0.5
O A:LEU147 4.1 15.6 1.0
CB A:SER142 4.1 13.8 0.5
CG A:LYS148 4.1 19.9 0.5
CB A:SER142 4.1 13.2 0.5
OG A:SER142 4.1 15.2 0.5
O A:HOH533 4.3 20.3 0.5
O A:HOH427 4.4 23.4 1.0
N A:PHE149 4.9 14.2 1.0
NE2 A:GLN139 4.9 16.7 0.3
C A:LEU147 4.9 15.4 1.0
N A:LYS148 4.9 15.8 1.0
C A:LYS148 5.0 15.5 1.0
CD A:LYS148 5.0 23.1 0.5

Chlorine binding site 3 out of 7 in 3uvc

Go back to Chlorine Binding Sites List in 3uvc
Chlorine binding site 3 out of 7 in the MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:19.9
occ:0.50
 CL A:CL311 0.0 19.9 0.5
CL A:CL311 1.1 19.2 0.5
NH1 A:ARG135 2.9 26.7 0.5
N A:LYS151 3.2 13.6 1.0
O A:HOH525 3.3 53.4 0.5
CA A:SER150 3.7 14.0 0.7
CA A:SER150 3.7 14.3 0.3
CZ A:ARG135 3.8 27.6 1.0
NH2 A:ARG135 3.9 26.0 1.0
C A:SER150 3.9 13.8 1.0
O A:LYS151 4.0 16.2 1.0
OG A:SER150 4.0 17.5 0.3
CB A:LYS151 4.1 14.4 1.0
CA A:LYS151 4.1 13.8 1.0
CB A:SER150 4.2 14.0 0.7
CB A:SER150 4.3 14.5 0.3
OG A:SER150 4.4 15.9 0.7
O A:PHE149 4.4 15.4 1.0
C A:LYS151 4.5 14.2 1.0
O A:HOH646 4.6 22.3 0.5
O A:HOH524 4.6 50.7 1.0
O A:HOH525 4.6 51.5 0.5
N A:SER150 4.9 13.4 1.0

Chlorine binding site 4 out of 7 in 3uvc

Go back to Chlorine Binding Sites List in 3uvc
Chlorine binding site 4 out of 7 in the MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:19.2
occ:0.50
 CL A:CL311 0.0 19.2 0.5
CL A:CL311 1.1 19.9 0.5
NH1 A:ARG135 1.8 26.7 0.5
CZ A:ARG135 2.8 27.6 1.0
N A:LYS151 3.2 13.6 1.0
NH2 A:ARG135 3.2 26.0 1.0
O A:HOH646 3.6 22.3 0.5
CA A:SER150 3.8 14.0 0.7
CA A:SER150 3.8 14.3 0.3
CB A:LYS151 3.9 14.4 1.0
O A:PHE149 4.0 15.4 1.0
NE A:ARG135 4.0 26.9 1.0
O A:HOH525 4.0 53.4 0.5
C A:SER150 4.0 13.8 1.0
CA A:LYS151 4.1 13.8 1.0
CD A:ARG135 4.5 25.0 1.0
O A:LYS151 4.6 16.2 1.0
CB A:SER150 4.7 14.0 0.7
O A:HOH524 4.7 50.7 1.0
OG A:SER150 4.7 17.5 0.3
C A:PHE149 4.7 14.3 1.0
N A:SER150 4.8 13.4 1.0
CB A:SER150 4.8 14.5 0.3
C A:LYS151 4.8 14.2 1.0
OG A:SER150 4.9 15.9 0.7
OH A:TYR116 4.9 18.1 1.0

Chlorine binding site 5 out of 7 in 3uvc

Go back to Chlorine Binding Sites List in 3uvc
Chlorine binding site 5 out of 7 in the MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:14.4
occ:1.00
 ZN A:ZN306 2.2 13.8 0.9
O A:HOH412 3.2 12.8 1.0
N3 A:IMD307 3.4 14.7 0.9
ND1 B:HIS228 3.4 14.3 1.0
CB A:HIS172 3.6 13.3 1.0
C4 A:IMD307 3.6 16.9 0.9
ND1 A:HIS172 3.6 14.0 1.0
CB B:HIS228 3.8 13.6 1.0
CG2 A:ILE180 3.9 15.1 1.0
CD1 A:ILE180 3.9 17.5 1.0
C8 A:0D2314 4.0 16.5 1.0
CG B:HIS228 4.0 13.1 1.0
O A:HIS172 4.0 14.6 1.0
CG A:HIS172 4.1 13.0 1.0
CB A:HIS183 4.1 10.3 1.0
CA A:HIS172 4.1 12.5 1.0
CG A:HIS183 4.3 11.2 1.0
C A:HIS172 4.3 13.0 1.0
CG1 A:ILE180 4.4 16.0 1.0
CD2 A:HIS183 4.5 13.0 1.0
CE1 B:HIS228 4.6 13.9 1.0
C2 A:IMD307 4.7 17.2 0.9
C7 A:0D2314 4.7 16.6 1.0
O A:ALA173 4.8 13.2 1.0
CB A:ILE180 4.8 14.8 1.0
C9 A:0D2314 4.8 16.3 1.0
CE1 A:HIS172 4.9 14.9 1.0
CA B:HIS228 4.9 13.7 1.0
ND1 A:HIS183 5.0 13.7 1.0
C5 A:IMD307 5.0 18.6 0.9
N B:HIS228 5.0 13.6 1.0

Chlorine binding site 6 out of 7 in 3uvc

Go back to Chlorine Binding Sites List in 3uvc
Chlorine binding site 6 out of 7 in the MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:30.5
occ:0.80
 O B:HOH616 3.0 43.1 1.0
N B:TYR121 3.1 15.3 1.0
NH2 B:ARG127 3.5 39.4 1.0
CA B:ASN120 3.7 14.3 1.0
CB B:ASN120 3.8 14.5 1.0
C B:ASN120 3.9 14.8 1.0
CB B:TYR121 4.0 15.9 1.0
O B:HOH461 4.0 27.1 1.0
CA B:TYR121 4.1 15.7 1.0
CD2 B:TYR121 4.1 18.1 1.0
O B:TYR121 4.1 18.4 1.0
CZ B:ARG127 4.2 38.0 1.0
O B:HOH491 4.5 44.5 1.0
NH1 B:ARG127 4.5 39.3 1.0
CG B:TYR121 4.6 16.7 1.0
C B:TYR121 4.6 15.8 1.0
N B:ASN120 5.0 15.2 1.0

Chlorine binding site 7 out of 7 in 3uvc

Go back to Chlorine Binding Sites List in 3uvc
Chlorine binding site 7 out of 7 in the MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of MMP12 in A Complex with the Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl310

b:25.7
occ:0.75
 O B:HOH463 3.1 27.9 1.0
N B:ARG110 3.1 16.9 1.0
O B:HOH617 3.7 48.4 1.0
CB B:ARG110 3.9 20.2 1.0
CE3 B:TRP109 3.9 14.9 1.0
CA B:ARG110 3.9 19.1 1.0
CD B:LYS111 4.0 20.7 1.0
CG B:LYS111 4.0 20.3 1.0
CA B:TRP109 4.1 15.3 1.0
C B:TRP109 4.1 16.6 1.0
C B:ARG110 4.2 19.5 1.0
CE B:LYS111 4.2 20.0 1.0
CG B:ARG110 4.3 24.8 1.0
N B:LYS111 4.3 20.1 1.0
O B:HOH552 4.3 44.9 1.0
CB B:TRP109 4.5 15.4 1.0
CZ3 B:TRP109 4.6 17.1 1.0
NZ B:LYS111 4.6 21.5 1.0
CB B:LYS111 4.7 21.1 1.0
O B:ARG110 4.8 21.7 1.0
CD2 B:TRP109 4.8 13.3 1.0

Reference:

H.Nordstrom, T.Gossas, D.J.Derbyshire, H.Danielson. Characterization of Fragments Interacting with Mmp-12 To Be Published.
Page generated: Sun Jul 21 06:32:38 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy