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Calcium in PDB 2jnp: Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh)

Enzymatic activity of Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh)

All present enzymatic activity of Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh):
3.4.24.17;

Other elements in 2jnp:

The structure of Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh) also contains other interesting chemical elements:

Zinc (Zn) 50 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh) (pdb code 2jnp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh), PDB code: 2jnp:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 2jnp

Go back to Calcium Binding Sites List in 2jnp
Calcium binding site 1 out of 2 in the Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca251

b:0.0
occ:1.00
OE1 A:GLU184 2.5 0.0 1.0
OD2 A:ASP181 2.5 0.0 1.0
OD1 A:ASP158 2.6 0.0 1.0
O A:VAL163 2.6 0.0 1.0
OD2 A:ASP158 2.7 0.0 1.0
O A:GLY159 2.8 0.0 1.0
O A:GLY161 2.8 0.0 1.0
HD22 A:LEU164 3.0 0.0 1.0
CG A:ASP158 3.0 0.0 1.0
HA A:LEU164 3.2 0.0 1.0
H A:GLY161 3.5 0.0 1.0
HB2 A:GLU184 3.6 0.0 1.0
CD A:GLU184 3.7 0.0 1.0
CG A:ASP181 3.7 0.0 1.0
C A:VAL163 3.8 0.0 1.0
HG A:LEU164 3.8 0.0 1.0
CD2 A:LEU164 3.9 0.0 1.0
C A:GLY161 3.9 0.0 1.0
H A:GLY159 3.9 0.0 1.0
C A:GLY159 3.9 0.0 1.0
HD23 A:LEU164 4.0 0.0 1.0
CA A:LEU164 4.2 0.0 1.0
N A:GLY161 4.2 0.0 1.0
OD1 A:ASP181 4.2 0.0 1.0
N A:GLY159 4.2 0.0 1.0
HA3 A:GLY161 4.2 0.0 1.0
HA2 A:GLY159 4.3 0.0 1.0
CA A:GLY161 4.3 0.0 1.0
OE2 A:GLU184 4.3 0.0 1.0
CG A:LEU164 4.4 0.0 1.0
CB A:GLU184 4.4 0.0 1.0
HG11 A:VAL163 4.4 0.0 1.0
HB3 A:GLU184 4.4 0.0 1.0
N A:LEU164 4.4 0.0 1.0
CA A:GLY159 4.5 0.0 1.0
CB A:ASP158 4.5 0.0 1.0
CG A:GLU184 4.6 0.0 1.0
HD21 A:LEU164 4.7 0.0 1.0
H A:ASP158 4.8 0.0 1.0
HB2 A:ASP181 4.8 0.0 1.0
N A:VAL163 4.8 0.0 1.0
C A:ASP158 4.9 0.0 1.0
CB A:ASP181 4.9 0.0 1.0
CB A:LEU164 4.9 0.0 1.0
CA A:VAL163 4.9 0.0 1.0
HB2 A:ASP158 4.9 0.0 1.0
HG13 A:VAL163 5.0 0.0 1.0

Calcium binding site 2 out of 2 in 2jnp

Go back to Calcium Binding Sites List in 2jnp
Calcium binding site 2 out of 2 in the Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Solution Structure of Matrix Metalloproteinase 3 (Mmp-3) in the Presence of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]Glycyl Hydroxamic Acid (Nngh) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca252

b:0.0
occ:1.00
OD2 A:ASP177 2.5 0.0 1.0
O A:ASP141 2.6 0.0 1.0
O A:GLY176 2.7 0.0 1.0
O A:ASN175 2.7 0.0 1.0
OD1 A:ASP177 2.8 0.0 1.0
O A:GLY173 2.9 0.0 1.0
CG A:ASP177 3.0 0.0 1.0
C A:GLY176 3.6 0.0 1.0
C A:ASN175 3.8 0.0 1.0
C A:ASP141 3.8 0.0 1.0
HA A:ILE142 4.0 0.0 1.0
H A:MET143 4.0 0.0 1.0
O A:ALA140 4.0 0.0 1.0
HA A:ILE174 4.0 0.0 1.0
C A:GLY173 4.1 0.0 1.0
HA3 A:GLY176 4.2 0.0 1.0
HA A:ASP141 4.3 0.0 1.0
CA A:GLY176 4.3 0.0 1.0
CB A:ASP177 4.3 0.0 1.0
N A:ASP177 4.4 0.0 1.0
N A:GLY176 4.4 0.0 1.0
N A:ASN175 4.5 0.0 1.0
H A:ASN175 4.5 0.0 1.0
HA A:ASP177 4.5 0.0 1.0
C A:ILE174 4.6 0.0 1.0
HB3 A:ASN175 4.6 0.0 1.0
HB3 A:MET143 4.7 0.0 1.0
N A:ILE142 4.7 0.0 1.0
CA A:ASP141 4.7 0.0 1.0
CA A:ASP177 4.7 0.0 1.0
CA A:ILE174 4.7 0.0 1.0
CA A:ASN175 4.7 0.0 1.0
HB2 A:ASP177 4.7 0.0 1.0
CA A:ILE142 4.8 0.0 1.0
N A:MET143 4.8 0.0 1.0
N A:ILE174 4.8 0.0 1.0
HA2 A:GLY173 4.9 0.0 1.0

Reference:

L.A.Alcaraz, L.Banci, I.Bertini, F.Cantini, A.Donaire, L.Gonnelli. Matrix Metalloproteinase-Inhibitor Interaction: the Solution Structure of the Catalytic Domain of Human Matrix Metalloproteinase-3 with Different Inhibitors J.Biol.Inorg.Chem. V. 12 1197 2007.
ISSN: ISSN 0949-8257
PubMed: 17710450
DOI: 10.1007/S00775-007-0288-9
Page generated: Sat Dec 12 03:42:28 2020

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