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Zinc in PDB 3t74: Thermolysin in Complex with UBTLN27

Enzymatic activity of Thermolysin in Complex with UBTLN27

All present enzymatic activity of Thermolysin in Complex with UBTLN27:
3.4.24.27;

Protein crystallography data

The structure of Thermolysin in Complex with UBTLN27, PDB code: 3t74 was solved by A.Biela, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.80 / 1.28
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.600, 92.600, 131.000, 90.00, 90.00, 120.00
R / Rfree (%) 10.5 / 12.7

Other elements in 3t74:

The structure of Thermolysin in Complex with UBTLN27 also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Thermolysin in Complex with UBTLN27 (pdb code 3t74). 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 in Complex with UBTLN27, PDB code: 3t74:

Zinc binding site 1 out of 1 in 3t74

Go back to Zinc Binding Sites List in 3t74
Zinc binding site 1 out of 1 in the Thermolysin in Complex with UBTLN27


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Thermolysin in Complex with UBTLN27 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn410

b:5.4
occ:1.00
OE2 A:GLU166 2.0 6.2 1.0
O23 A:UBY401 2.0 5.4 1.0
NE2 A:HIS142 2.0 5.7 1.0
NE2 A:HIS146 2.0 5.4 1.0
CD A:GLU166 2.8 5.9 1.0
CE1 A:HIS146 2.9 5.5 1.0
OE1 A:GLU166 3.0 6.2 1.0
CE1 A:HIS142 3.0 5.1 1.0
P12 A:UBY401 3.0 5.2 1.0
CD2 A:HIS142 3.0 4.6 1.0
O22 A:UBY401 3.1 6.1 1.0
CD2 A:HIS146 3.1 5.2 1.0
OH A:TYR157 3.8 7.4 1.0
NE2 A:HIS231 4.0 6.8 1.0
N13 A:UBY401 4.0 5.5 1.0
C14 A:UBY401 4.1 5.5 1.0
ND1 A:HIS146 4.1 5.4 1.0
ND1 A:HIS142 4.1 5.0 1.0
CG A:HIS142 4.2 4.8 1.0
CG A:GLU166 4.2 6.1 1.0
CG A:HIS146 4.2 5.1 1.0
C11 A:UBY401 4.5 7.7 1.0
CB A:SER169 4.5 5.2 1.0
C15 A:UBY401 4.5 6.1 1.0
CD2 A:HIS231 4.6 6.8 1.0
O24 A:UBY401 4.6 5.9 1.0
C3 A:GOL405 4.6 10.6 1.0
N10 A:UBY401 4.6 9.6 0.6
N10 A:UBY401 4.7 9.8 0.4
OG A:SER169 4.7 5.1 1.0
O3 A:GOL405 4.8 7.1 1.0
CZ A:TYR157 4.8 6.9 1.0
OE1 A:GLU143 4.8 9.1 1.0
CA A:GLU166 4.9 5.2 1.0
CE1 A:TYR157 4.9 6.9 1.0

Reference:

A.Biela, M.Betz, A.Heine, G.Klebe. Water Makes the Difference: Rearrangement of Water Solvation Layer Triggers Non-Additivity of Functional Group Contributions in Protein-Ligand Binding. Chemmedchem V. 7 1423 2012.
ISSN: ISSN 1860-7179
PubMed: 22733601
DOI: 10.1002/CMDC.201200206
Page generated: Wed Dec 16 04:51:34 2020

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