Atomistry » Calcium » PDB 3uix-3v03 » 3usn
Atomistry »
  Calcium »
    PDB 3uix-3v03 »
      3usn »

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

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