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Zinc in PDB 1thl: Thermolysin Complexed with A Novel Glutaramide Derivative, N-(1-(2(R, S)-Carboxy-4-Phenylbutyl) Cyclopentylcarbonyl)-(S)-Tryptophan

Enzymatic activity of Thermolysin Complexed with A Novel Glutaramide Derivative, N-(1-(2(R, S)-Carboxy-4-Phenylbutyl) Cyclopentylcarbonyl)-(S)-Tryptophan

All present enzymatic activity of Thermolysin Complexed with A Novel Glutaramide Derivative, N-(1-(2(R, S)-Carboxy-4-Phenylbutyl) Cyclopentylcarbonyl)-(S)-Tryptophan:
3.4.24.27;

Protein crystallography data

The structure of Thermolysin Complexed with A Novel Glutaramide Derivative, N-(1-(2(R, S)-Carboxy-4-Phenylbutyl) Cyclopentylcarbonyl)-(S)-Tryptophan, PDB code: 1thl was solved by D.R.Holland, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.70
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 94.100, 94.100, 131.400, 90.00, 90.00, 120.00
R / Rfree (%) 16.2 / n/a

Other elements in 1thl:

The structure of Thermolysin Complexed with A Novel Glutaramide Derivative, N-(1-(2(R, S)-Carboxy-4-Phenylbutyl) Cyclopentylcarbonyl)-(S)-Tryptophan also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Thermolysin Complexed with A Novel Glutaramide Derivative, N-(1-(2(R, S)-Carboxy-4-Phenylbutyl) Cyclopentylcarbonyl)-(S)-Tryptophan (pdb code 1thl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Thermolysin Complexed with A Novel Glutaramide Derivative, N-(1-(2(R, S)-Carboxy-4-Phenylbutyl) Cyclopentylcarbonyl)-(S)-Tryptophan, PDB code: 1thl:

Zinc binding site 1 out of 1 in 1thl

Go back to Zinc Binding Sites List in 1thl
Zinc binding site 1 out of 1 in the Thermolysin Complexed with A Novel Glutaramide Derivative, N-(1-(2(R, S)-Carboxy-4-Phenylbutyl) Cyclopentylcarbonyl)-(S)-Tryptophan


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Thermolysin Complexed with A Novel Glutaramide Derivative, N-(1-(2(R, S)-Carboxy-4-Phenylbutyl) Cyclopentylcarbonyl)-(S)-Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn324

b:10.7
occ:1.00
 OE2 A:GLU166 2.0 7.5 1.0
OG2 A:0DB320 2.0 8.1 1.0
NE2 A:HIS142 2.0 8.7 1.0
NE2 A:HIS146 2.0 6.9 1.0
CB2 A:0DB320 2.8 15.9 1.0
OG1 A:0DB320 2.8 13.9 1.0
CD A:GLU166 2.8 9.2 1.0
CE1 A:HIS146 2.9 12.3 1.0
OE1 A:GLU166 3.0 11.5 1.0
CE1 A:HIS142 3.0 5.6 1.0
CD2 A:HIS142 3.1 9.3 1.0
CD2 A:HIS146 3.2 8.4 1.0
OH A:TYR157 3.7 10.1 1.0
ND1 A:HIS146 4.1 12.6 1.0
NE2 A:HIS231 4.1 8.9 1.0
ND1 A:HIS142 4.2 8.4 1.0
CG A:HIS142 4.2 11.0 1.0
CG A:HIS146 4.2 9.6 1.0
CA A:0DB320 4.2 8.1 1.0
CG A:GLU166 4.2 3.9 1.0
CB11 A:0DB320 4.4 10.8 1.0
CB A:SER169 4.5 6.2 1.0
CD2 A:HIS231 4.7 9.0 1.0
OG A:SER169 4.7 7.8 1.0
CZ A:TYR157 4.8 12.7 1.0
O A:HOH362 4.8 15.9 1.0
CA A:GLU166 4.8 9.4 1.0
CE1 A:TYR157 4.9 9.6 1.0

Reference:

D.R.Holland, P.L.Barclay, J.C.Danilewicz, B.W.Matthews, K.James. Inhibition of Thermolysin and Neutral Endopeptidase 24.11 By A Novel Glutaramide Derivative; X-Ray Structure Determination of the Thermolysin-Inhibitor Complex Biochemistry V. 33 51 1994.
ISSN: ISSN 0006-2960
PubMed: 8286362
DOI: 10.1021/BI00167A007
Page generated: Wed Oct 16 19:08:48 2024

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