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Calcium in PDB 3usn: Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure

Enzymatic activity of Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure

All present enzymatic activity of Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure:
3.4.24.17;

Other elements in 3usn:

The structure of Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure (pdb code 3usn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure, PDB code: 3usn:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 3usn

Go back to Calcium Binding Sites List in 3usn
Calcium binding site 1 out of 3 in the Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca171

b:0.0
occ:1.00
 HE2 A:GLU102 2.3 0.0 1.0
HD2 A:ASP99 2.5 0.0 1.0
HD2 A:ASP101 2.6 0.0 1.0
OD2 A:ASP99 2.6 0.0 1.0
O A:GLY77 2.7 0.0 1.0
OD1 A:ASP76 2.7 0.0 1.0
OE2 A:GLU102 2.7 0.0 1.0
O A:VAL81 2.7 0.0 1.0
O A:GLY79 2.7 0.0 1.0
OD2 A:ASP101 2.8 0.0 1.0
HD2 A:ASP76 3.4 0.0 1.0
C A:GLY79 3.6 0.0 1.0
HA A:ASP101 3.6 0.0 1.0
CG A:ASP76 3.6 0.0 1.0
N A:GLY79 3.7 0.0 1.0
CG A:ASP101 3.8 0.0 1.0
C A:VAL81 3.8 0.0 1.0
HB A:VAL81 3.8 0.0 1.0
H A:GLY79 3.8 0.0 1.0
C A:GLY77 3.8 0.0 1.0
C A:PRO78 3.9 0.0 1.0
CG A:ASP99 3.9 0.0 1.0
HB2 A:ASP99 4.0 0.0 1.0
CD A:GLU102 4.0 0.0 1.0
OD2 A:ASP76 4.0 0.0 1.0
HA A:PRO78 4.0 0.0 1.0
N A:VAL81 4.2 0.0 1.0
H A:VAL81 4.2 0.0 1.0
CA A:GLY79 4.2 0.0 1.0
HB3 A:ASP99 4.2 0.0 1.0
O A:PRO78 4.3 0.0 1.0
H A:GLY77 4.3 0.0 1.0
CA A:PRO78 4.3 0.0 1.0
OD1 A:ASP101 4.4 0.0 1.0
CA A:VAL81 4.4 0.0 1.0
CA A:ASP101 4.5 0.0 1.0
O A:ASP101 4.5 0.0 1.0
CB A:ASP99 4.5 0.0 1.0
OE1 A:GLU102 4.5 0.0 1.0
N A:PRO78 4.5 0.0 1.0
C A:ASN80 4.5 0.0 1.0
N A:GLY77 4.5 0.0 1.0
N A:ASN80 4.6 0.0 1.0
HA A:LEU82 4.6 0.0 1.0
CB A:VAL81 4.7 0.0 1.0
CB A:ASP101 4.7 0.0 1.0
C A:ASP101 4.7 0.0 1.0
HG2 A:GLU102 4.8 0.0 1.0
CA A:GLY77 4.8 0.0 1.0
OD1 A:ASP99 4.8 0.0 1.0
HA2 A:GLY79 4.9 0.0 1.0
N A:LEU82 4.9 0.0 1.0
HD1 A:PHE75 5.0 0.0 1.0
HA3 A:GLY79 5.0 0.0 1.0

Calcium binding site 2 out of 3 in 3usn

Go back to Calcium Binding Sites List in 3usn
Calcium binding site 2 out of 3 in the Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca172

b:0.0
occ:1.00
 H A:ASP95 2.0 0.0 1.0
HB2 A:ASP95 2.3 0.0 1.0
O A:ILE92 2.6 0.0 1.0
N A:ASP95 2.6 0.0 1.0
N A:GLY94 2.7 0.0 1.0
O A:GLY91 2.7 0.0 1.0
CB A:ASP95 2.8 0.0 1.0
CG A:ASP95 2.9 0.0 1.0
C A:ASN93 2.9 0.0 1.0
C A:ILE92 3.0 0.0 1.0
OD1 A:ASP59 3.0 0.0 1.0
O A:ASN93 3.0 0.0 1.0
OD2 A:ASP95 3.0 0.0 1.0
CA A:GLY94 3.1 0.0 1.0
HA3 A:GLY94 3.2 0.0 1.0
H A:GLY94 3.2 0.0 1.0
HB2 A:TYR86 3.2 0.0 1.0
CA A:ASP95 3.3 0.0 1.0
O A:ASP95 3.3 0.0 1.0
HA A:ILE92 3.4 0.0 1.0
N A:ASN93 3.5 0.0 1.0
HD2 A:ASP95 3.5 0.0 1.0
C A:GLY94 3.5 0.0 1.0
OD1 A:ASP95 3.6 0.0 1.0
CA A:ASN93 3.7 0.0 1.0
C A:GLY91 3.8 0.0 1.0
C A:ASP95 3.8 0.0 1.0
CA A:ILE92 3.8 0.0 1.0
HB3 A:ASP95 3.8 0.0 1.0
HD2 A:ASP59 3.8 0.0 1.0
HA A:ASN93 3.9 0.0 1.0
HB3 A:TYR86 3.9 0.0 1.0
HD2 A:TYR86 4.0 0.0 1.0
CG A:ASP59 4.1 0.0 1.0
CB A:TYR86 4.1 0.0 1.0
H A:ASN93 4.2 0.0 1.0
HA2 A:GLY94 4.2 0.0 1.0
HA A:ASP95 4.2 0.0 1.0
N A:ILE92 4.3 0.0 1.0
O A:TYR86 4.3 0.0 1.0
OD2 A:ASP59 4.5 0.0 1.0
O A:GLY94 4.6 0.0 1.0
CD2 A:TYR86 4.7 0.0 1.0
C A:TYR86 4.9 0.0 1.0
CG A:TYR86 4.9 0.0 1.0

Calcium binding site 3 out of 3 in 3usn

Go back to Calcium Binding Sites List in 3usn
Calcium binding site 3 out of 3 in the Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the Thiadiazole Inhibitor Ipnu-107859, uc(Nmr), 1 Structure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca173

b:0.0
occ:1.00
 HD2 A:ASP25 2.1 0.0 1.0
O A:GLU102 2.6 0.0 1.0
OD2 A:ASP25 2.7 0.0 1.0
OD1 A:ASP100 2.7 0.0 1.0
C A:GLU102 3.6 0.0 1.0
HD1 A:TRP104 3.7 0.0 1.0
HE1 A:TRP104 3.8 0.0 1.0
CG A:ASP100 3.9 0.0 1.0
CG A:ASP25 3.9 0.0 1.0
N A:GLU102 3.9 0.0 1.0
N A:ASP101 3.9 0.0 1.0
H A:GLU102 3.9 0.0 1.0
HG1 A:THR23 4.0 0.0 1.0
HA A:ASP100 4.0 0.0 1.0
C A:ASP101 4.1 0.0 1.0
C A:ASP100 4.2 0.0 1.0
HA A:GLN103 4.2 0.0 1.0
OD1 A:ASP25 4.3 0.0 1.0
CA A:GLU102 4.3 0.0 1.0
O A:ASP100 4.3 0.0 1.0
CD1 A:TRP104 4.3 0.0 1.0
NE1 A:TRP104 4.3 0.0 1.0
H A:ASP101 4.4 0.0 1.0
H A:TRP104 4.4 0.0 1.0
OG1 A:THR23 4.5 0.0 1.0
HD2 A:ASP100 4.5 0.0 1.0
CA A:ASP101 4.5 0.0 1.0
CA A:ASP100 4.5 0.0 1.0
HA A:GLU102 4.6 0.0 1.0
O A:ASP101 4.6 0.0 1.0
N A:GLN103 4.6 0.0 1.0
OD2 A:ASP100 4.8 0.0 1.0
CB A:ASP100 4.9 0.0 1.0
CA A:GLN103 5.0 0.0 1.0

Reference:

B.J.Stockman, D.J.Waldon, J.A.Gates, T.A.Scahill, D.A.Kloosterman, S.A.Mizsak, E.J.Jacobsen, K.L.Belonga, M.A.Mitchell, B.Mao, J.D.Petke, L.Goodman, E.A.Powers, S.R.Ledbetter, P.S.Kaytes, G.Vogeli, V.P.Marshall, G.L.Petzold, R.A.Poorman. Solution Structures of Stromelysin Complexed to Thiadiazole Inhibitors. Protein Sci. V. 7 2281 1998.
ISSN: ISSN 0961-8368
PubMed: 9827994
Page generated: Sat Jul 13 20:16:22 2024

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