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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

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