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Zinc in PDB 3ohl: Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methoxy-N-(Pyridine-3-Ylmethyl)Phenylsulfonamido)Acetamide

Enzymatic activity of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methoxy-N-(Pyridine-3-Ylmethyl)Phenylsulfonamido)Acetamide

All present enzymatic activity of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methoxy-N-(Pyridine-3-Ylmethyl)Phenylsulfonamido)Acetamide:
3.4.24.17;

Protein crystallography data

The structure of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methoxy-N-(Pyridine-3-Ylmethyl)Phenylsulfonamido)Acetamide, PDB code: 3ohl 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) 23.31 / 2.36
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 56.964, 120.512, 46.627, 90.00, 90.00, 90.00
R / Rfree (%) 26.1 / 28.3

Other elements in 3ohl:

The structure of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methoxy-N-(Pyridine-3-Ylmethyl)Phenylsulfonamido)Acetamide also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Zinc Binding Sites:

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

Zinc binding site 1 out of 2 in 3ohl

Go back to Zinc Binding Sites List in 3ohl
Zinc binding site 1 out of 2 in the Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methoxy-N-(Pyridine-3-Ylmethyl)Phenylsulfonamido)Acetamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methoxy-N-(Pyridine-3-Ylmethyl)Phenylsulfonamido)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn4

b:43.8
occ:1.00
 OD2 A:ASP153 2.0 39.6 1.0
O A:HOH12 2.1 0.0 1.0
NE2 A:HIS151 2.1 40.0 1.0
ND1 A:HIS179 2.1 41.7 1.0
NE2 A:HIS166 2.1 45.5 1.0
CG A:ASP153 3.1 41.3 1.0
CE1 A:HIS166 3.1 48.0 1.0
CD2 A:HIS151 3.1 39.5 1.0
CE1 A:HIS179 3.1 39.7 1.0
CE1 A:HIS151 3.1 40.7 1.0
CG A:HIS179 3.1 39.3 1.0
CD2 A:HIS166 3.2 45.9 1.0
CB A:HIS179 3.4 39.0 1.0
OD1 A:ASP153 3.4 43.0 1.0
ND1 A:HIS151 4.2 41.9 1.0
NE2 A:HIS179 4.2 39.8 1.0
ND1 A:HIS166 4.2 49.2 1.0
CG A:HIS151 4.2 39.7 1.0
CD2 A:HIS179 4.2 39.2 1.0
O A:TYR155 4.2 45.3 1.0
CG A:HIS166 4.3 46.5 1.0
OH A:TYR168 4.3 48.4 1.0
CB A:ASP153 4.4 43.0 1.0
CE1 A:TYR168 4.5 45.4 1.0
CZ A:PHE157 4.5 41.0 1.0
CE2 A:PHE157 4.5 40.9 1.0
CA A:HIS179 4.9 38.9 1.0
CZ A:TYR168 4.9 46.9 1.0

Zinc binding site 2 out of 2 in 3ohl

Go back to Zinc Binding Sites List in 3ohl
Zinc binding site 2 out of 2 in the Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methoxy-N-(Pyridine-3-Ylmethyl)Phenylsulfonamido)Acetamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Catalytic Domain of Stromelysin-1 in Complex with N-Hydroxy-2-(4- Methoxy-N-(Pyridine-3-Ylmethyl)Phenylsulfonamido)Acetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn5

b:59.0
occ:1.00
 O A:OHL6 2.0 74.0 1.0
OAE A:OHL6 2.0 62.3 1.0
NE2 A:HIS211 2.1 64.9 1.0
NE2 A:HIS205 2.1 57.6 1.0
NE2 A:HIS201 2.1 61.2 1.0
C A:OHL6 2.7 66.5 1.0
NAQ A:OHL6 2.7 61.6 1.0
CD2 A:HIS211 3.0 67.1 1.0
CD2 A:HIS201 3.0 59.5 1.0
CD2 A:HIS205 3.1 55.7 1.0
CE1 A:HIS205 3.1 58.9 1.0
CE1 A:HIS201 3.2 64.6 1.0
CE1 A:HIS211 3.2 67.3 1.0
CG A:HIS211 4.2 70.7 1.0
CG A:HIS201 4.2 60.4 1.0
CA A:OHL6 4.2 67.2 1.0
ND1 A:HIS205 4.2 57.3 1.0
ND1 A:HIS211 4.2 70.1 1.0
ND1 A:HIS201 4.2 63.7 1.0
CG A:HIS205 4.2 54.6 1.0
OE2 A:GLU202 4.2 47.5 1.0
N A:OHL6 4.8 72.0 1.0
OE1 A:GLU202 4.9 42.0 1.0
CAM A:OHL6 4.9 63.9 1.0
CD A:GLU202 4.9 46.2 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 Oct 26 10:55:55 2024

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