Atomistry » Calcium » PDB 2tga-2v5c » 2tmn
Atomistry »
  Calcium »
    PDB 2tga-2v5c »
      2tmn »

Calcium in PDB 2tmn: Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin

Enzymatic activity of Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin

All present enzymatic activity of Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin:
3.4.24.27;

Protein crystallography data

The structure of Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin, PDB code: 2tmn was solved by D.E.Tronrud, A.F.Monzingo, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.60
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 (%) n/a / n/a

Other elements in 2tmn:

The structure of Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin (pdb code 2tmn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin, PDB code: 2tmn:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 2tmn

Go back to Calcium Binding Sites List in 2tmn
Calcium binding site 1 out of 4 in the Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca317

b:11.6
occ:1.00
O E:GLU187 2.3 8.6 1.0
OD1 E:ASP138 2.3 13.4 1.0
OE2 E:GLU190 2.4 12.6 1.0
OE1 E:GLU190 2.5 12.3 1.0
OD2 E:ASP185 2.5 11.1 1.0
OE1 E:GLU177 2.6 13.1 1.0
O E:HOH338 2.6 10.0 1.0
CD E:GLU190 2.8 11.5 1.0
OE2 E:GLU177 2.9 11.0 1.0
CD E:GLU177 3.1 13.3 1.0
C E:GLU187 3.4 13.2 1.0
CG E:ASP138 3.4 10.8 1.0
CG E:ASP185 3.5 14.3 1.0
OD1 E:ASP185 3.7 13.9 1.0
CA E:CA318 3.8 13.1 1.0
CB E:ASP138 4.1 5.6 1.0
N E:ILE188 4.2 11.3 1.0
CG E:GLU190 4.2 8.8 1.0
OD2 E:ASP138 4.2 12.1 1.0
N E:GLU187 4.2 15.7 1.0
O E:HOH426 4.3 38.6 1.0
CA E:ILE188 4.3 13.0 1.0
O E:ASP185 4.3 16.0 1.0
CA E:GLU187 4.3 11.2 1.0
O E:HOH342 4.5 14.6 1.0
CB E:GLU187 4.5 12.0 1.0
CG E:GLU177 4.5 9.0 1.0
N E:GLY189 4.6 17.1 1.0
C E:ASP185 4.7 11.3 1.0
N E:ASP185 4.8 12.4 1.0
CB E:ASP185 4.8 10.9 1.0
C E:ILE188 4.9 19.9 1.0
N E:GLU190 4.9 11.8 1.0

Calcium binding site 2 out of 4 in 2tmn

Go back to Calcium Binding Sites List in 2tmn
Calcium binding site 2 out of 4 in the Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca318

b:13.1
occ:1.00
O E:HOH431 2.0 23.8 1.0
OE2 E:GLU177 2.3 11.0 1.0
OE2 E:GLU190 2.3 12.6 1.0
O E:HOH345 2.4 13.5 1.0
OD1 E:ASP185 2.5 13.9 1.0
O E:ASN183 2.5 21.4 1.0
CD E:GLU177 3.3 13.3 1.0
CG E:ASP185 3.4 14.3 1.0
CD E:GLU190 3.4 11.5 1.0
C E:ASN183 3.7 14.9 1.0
OD2 E:ASP185 3.7 11.1 1.0
CA E:CA317 3.8 11.6 1.0
CG E:GLU190 3.8 8.8 1.0
OE1 E:GLU177 3.8 13.1 1.0
O E:LYS182 3.9 25.4 1.0
CB E:ASN183 4.1 21.8 1.0
CA E:PRO184 4.2 15.6 1.0
OD2 E:ASP191 4.2 17.5 1.0
C E:PRO184 4.3 20.5 1.0
N E:ASP185 4.3 12.4 1.0
CG E:GLU177 4.3 9.0 1.0
N E:PRO184 4.4 13.7 1.0
OE1 E:GLU190 4.4 12.3 1.0
OD1 E:ASP191 4.4 15.7 1.0
O E:HOH426 4.5 38.6 1.0
CB E:ASP185 4.6 10.9 1.0
CG E:ASP191 4.6 18.7 1.0
CA E:ASN183 4.6 18.9 1.0
ND2 E:ASN183 4.8 44.7 1.0
O E:PRO184 4.8 20.0 1.0
C E:LYS182 5.0 23.8 1.0

Calcium binding site 3 out of 4 in 2tmn

Go back to Calcium Binding Sites List in 2tmn
Calcium binding site 3 out of 4 in the Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca319

b:12.1
occ:1.00
OD1 E:ASP57 2.2 12.2 1.0
O E:GLN61 2.3 12.7 1.0
O E:HOH438 2.3 15.1 1.0
O E:HOH454 2.4 17.0 1.0
OD1 E:ASP59 2.5 17.8 1.0
O E:HOH394 2.5 17.8 1.0
OD2 E:ASP57 2.6 12.3 1.0
CG E:ASP57 2.8 13.7 1.0
CG E:ASP59 3.5 17.7 1.0
C E:GLN61 3.5 17.7 1.0
OD2 E:ASP59 3.9 18.7 1.0
O E:HOH440 4.0 23.4 1.0
N E:GLN61 4.0 16.8 1.0
CA E:GLN61 4.2 16.9 1.0
CB E:ASP57 4.3 6.4 1.0
N E:ASP59 4.4 13.6 1.0
CB E:GLN61 4.4 15.0 1.0
O E:HOH459 4.5 16.2 1.0
OD2 E:ASP67 4.5 11.8 1.0
N E:PHE62 4.6 15.2 1.0
O E:HOH348 4.6 11.2 1.0
CA E:PHE62 4.7 7.4 1.0
N E:ALA58 4.7 9.7 1.0
CB E:ASP59 4.7 6.0 1.0
N E:ASN60 4.8 10.9 1.0
CA E:ASP59 4.9 10.9 1.0
C E:ASP59 5.0 14.0 1.0

Calcium binding site 4 out of 4 in 2tmn

Go back to Calcium Binding Sites List in 2tmn
Calcium binding site 4 out of 4 in the Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca320

b:16.3
occ:1.00
O E:HOH436 2.1 29.5 1.0
OD1 E:ASP200 2.2 17.6 1.0
O E:ILE197 2.3 25.8 1.0
OG1 E:THR194 2.4 13.5 1.0
O E:THR194 2.5 19.9 1.0
O E:TYR193 2.5 12.8 1.0
O E:HOH346 2.5 15.0 1.0
CG E:ASP200 3.3 10.3 1.0
C E:THR194 3.3 21.2 1.0
C E:TYR193 3.4 13.0 1.0
C E:ILE197 3.4 28.2 1.0
CB E:THR194 3.6 13.9 1.0
OD2 E:ASP200 3.7 17.2 1.0
CA E:THR194 3.8 13.2 1.0
N E:THR194 3.9 13.3 1.0
N E:ILE197 4.2 29.5 1.0
CA E:ILE197 4.2 19.5 1.0
N E:PRO195 4.3 20.3 1.0
CB E:ILE197 4.3 27.4 1.0
O E:ASP200 4.4 14.9 1.0
N E:SER198 4.4 26.5 1.0
O E:GLU190 4.5 16.1 1.0
CA E:SER198 4.5 29.8 1.0
N E:ASP200 4.6 19.4 1.0
CA E:TYR193 4.6 11.8 1.0
CB E:ASP200 4.6 15.0 1.0
CA E:PRO195 4.7 21.2 1.0
CD2 E:TYR193 4.7 15.6 1.0
C E:ASP200 4.8 11.3 1.0
CG2 E:THR194 4.8 10.6 1.0
CB E:TYR193 4.8 15.1 1.0
C E:SER198 4.8 24.6 1.0
O E:HOH456 4.9 54.0 1.0
CG2 E:ILE197 4.9 28.8 1.0
CA E:ASP200 4.9 13.6 1.0
N E:GLY199 4.9 25.8 1.0
C E:PRO195 5.0 26.4 1.0

Reference:

D.E.Tronrud, A.F.Monzingo, B.W.Matthews. Crystallographic Structural Analysis of Phosphoramidates As Inhibitors and Transition-State Analogs of Thermolysin. Eur.J.Biochem. V. 157 261 1986.
ISSN: ISSN 0014-2956
PubMed: 3709536
DOI: 10.1111/J.1432-1033.1986.TB09664.X
Page generated: Sat Dec 12 03:52:47 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy