Atomistry » Calcium » PDB 3nur-3ojn » 3oho
Atomistry »
  Calcium »
    PDB 3nur-3ojn »
      3oho »

Calcium in PDB 3oho: Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide

Enzymatic activity of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide

All present enzymatic activity of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide:
3.4.24.17;

Protein crystallography data

The structure of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide, PDB code: 3oho was solved by T.Kowatz, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.60 / 2.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 56.482, 121.044, 46.872, 90.00, 90.00, 90.00
R / Rfree (%) 25.5 / 26.4

Other elements in 3oho:

The structure of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide (pdb code 3oho). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide, PDB code: 3oho:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 3oho

Go back to Calcium Binding Sites List in 3oho
Calcium binding site 1 out of 3 in the Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:73.0
occ:1.00
 O A:ASP182 2.3 53.7 1.0
OD1 A:ASP182 2.3 51.3 1.0
OD2 A:ASP107 2.3 59.4 1.0
O A:GLU184 2.6 57.7 1.0
CG A:ASP107 3.0 59.5 1.0
OD1 A:ASP107 3.1 60.5 1.0
C A:ASP182 3.1 52.5 1.0
CG A:ASP182 3.5 50.9 1.0
OG1 A:THR105 3.6 49.2 1.0
CA A:ASP182 3.6 50.7 1.0
C A:GLU184 3.8 60.0 1.0
CD1 A:TRP186 3.9 54.1 1.0
CB A:ASP182 4.0 50.1 1.0
N A:ASP183 4.2 53.3 1.0
N A:GLU184 4.3 57.1 1.0
NE1 A:TRP186 4.4 53.1 1.0
CB A:ASP107 4.5 58.8 1.0
C A:ASP183 4.5 57.8 1.0
OD2 A:ASP182 4.5 51.5 1.0
CA A:ASP183 4.5 55.7 1.0
CA A:GLN185 4.6 65.3 1.0
N A:GLN185 4.6 63.7 1.0
CD A:PRO106 4.7 51.2 1.0
N A:TRP186 4.7 61.6 1.0
CA A:GLU184 4.7 59.1 1.0
OE1 A:GLN185 4.8 76.2 1.0
CB A:THR105 4.9 47.4 1.0
O A:ASP181 4.9 52.2 1.0
CG A:TRP186 5.0 55.9 1.0
N A:ASP182 5.0 49.9 1.0

Calcium binding site 2 out of 3 in 3oho

Go back to Calcium Binding Sites List in 3oho
Calcium binding site 2 out of 3 in the Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca2

b:50.6
occ:1.00
 OD1 A:ASP177 2.3 46.8 1.0
O A:GLY173 2.3 52.4 1.0
O A:ASP141 2.3 53.6 1.0
O A:ASN175 2.3 52.4 1.0
O A:HOH257 2.4 44.8 1.0
O A:HOH264 2.6 47.5 1.0
CG A:ASP177 3.3 44.7 1.0
C A:ASN175 3.5 52.1 1.0
C A:ASP141 3.5 55.3 1.0
C A:GLY173 3.5 53.0 1.0
OD2 A:ASP177 3.8 43.7 1.0
N A:ASP177 4.0 47.2 1.0
O A:ALA140 4.0 55.2 1.0
C A:ILE174 4.1 51.4 1.0
N A:ASN175 4.1 52.2 1.0
CA A:ASP141 4.2 58.1 1.0
N A:GLY176 4.3 51.8 1.0
O A:ILE174 4.3 50.1 1.0
CA A:GLY176 4.3 51.6 1.0
C A:GLY176 4.3 48.9 1.0
CA A:ASN175 4.4 52.8 1.0
N A:GLY173 4.4 56.0 1.0
N A:ILE174 4.4 52.1 1.0
O A:HOH258 4.4 41.8 1.0
CA A:GLY173 4.5 54.5 1.0
O A:GLY171 4.5 56.0 1.0
CA A:ILE174 4.5 51.2 1.0
CB A:ASP177 4.5 43.9 1.0
N A:ILE142 4.5 54.9 1.0
CA A:ASP177 4.6 45.4 1.0
N A:MET143 4.7 48.3 1.0
CA A:ILE142 4.8 52.6 1.0
CG A:MET143 4.8 46.8 1.0
C A:PRO172 4.9 56.1 1.0
C A:ALA140 5.0 57.0 1.0
CH2 A:TRP92 5.0 64.8 1.0

Calcium binding site 3 out of 3 in 3oho

Go back to Calcium Binding Sites List in 3oho
Calcium binding site 3 out of 3 in the Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methylphenylsulfonamido)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca3

b:50.6
occ:1.00
 O A:VAL163 2.3 56.9 1.0
OD2 A:ASP181 2.3 53.9 1.0
OE2 A:GLU184 2.3 57.5 1.0
O A:GLY161 2.3 64.6 1.0
O A:GLY159 2.3 60.3 1.0
OD1 A:ASP158 2.3 60.0 1.0
C A:VAL163 3.4 58.3 1.0
CG A:ASP181 3.4 51.8 1.0
CD A:GLU184 3.5 59.1 1.0
C A:GLY161 3.5 68.2 1.0
CG A:ASP158 3.5 62.9 1.0
C A:GLY159 3.5 61.6 1.0
N A:VAL163 3.8 64.2 1.0
N A:GLY161 4.0 66.8 1.0
CB A:ASP181 4.0 50.8 1.0
CA A:VAL163 4.1 61.1 1.0
N A:GLY159 4.1 60.3 1.0
C A:PRO160 4.2 67.1 1.0
OE1 A:GLU184 4.2 61.4 1.0
C A:ASP158 4.2 62.1 1.0
N A:ASP158 4.2 58.4 1.0
OD2 A:ASP158 4.2 65.4 1.0
C A:ASN162 4.3 67.5 1.0
CA A:GLY161 4.4 69.2 1.0
N A:LEU164 4.4 57.4 1.0
OD1 A:ASP181 4.4 51.4 1.0
CA A:GLY159 4.5 61.4 1.0
N A:PRO160 4.5 63.4 1.0
CA A:PRO160 4.5 64.3 1.0
CB A:VAL163 4.5 59.7 1.0
CA A:ASP158 4.5 61.5 1.0
N A:ASN162 4.5 70.7 1.0
CG A:GLU184 4.6 57.8 1.0
O A:ASP158 4.6 64.2 1.0
CB A:ASP158 4.6 63.7 1.0
CB A:ASN162 4.6 71.2 1.0
CA A:LEU164 4.7 55.0 1.0
CA A:ASN162 4.7 70.7 1.0
O A:PRO160 4.7 69.5 1.0
O A:HOH266 4.9 37.6 1.0
O A:ASN162 4.9 68.3 1.0

Reference:

T.Kowatz, J.H.Naismith. Non-Resonance Raman Difference Spectroscopy As A Tool to Probe Enthalpy-Entropy Compensation and the Interfacial Mobility Model To Be Published.
Page generated: Sat Jul 13 15:18:43 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