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Calcium in PDB 1tlp: 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: 1tlp 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) 23.30 / 2.30
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 1tlp:

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 1tlp). 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: 1tlp:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 1tlp

Go back to Calcium Binding Sites List in 1tlp
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:Ca318

b:12.6
occ:1.00
 O E:GLU187 2.3 6.2 1.0
OD1 E:ASP138 2.4 17.2 1.0
OD2 E:ASP185 2.4 15.1 1.0
OE1 E:GLU190 2.5 2.9 1.0
OE2 E:GLU190 2.6 9.3 1.0
O E:HOH335 2.7 6.2 1.0
OE1 E:GLU177 2.7 14.7 1.0
CD E:GLU190 2.8 8.7 1.0
OE2 E:GLU177 2.9 14.2 1.0
CD E:GLU177 3.1 10.3 1.0
C E:GLU187 3.3 12.7 1.0
CG E:ASP185 3.4 8.7 1.0
CG E:ASP138 3.5 6.2 1.0
OD1 E:ASP185 3.7 14.5 1.0
CA E:CA319 3.8 13.1 1.0
CB E:ASP138 4.1 1.0 1.0
N E:GLU187 4.2 13.0 1.0
CA E:GLU187 4.2 14.0 1.0
N E:ILE188 4.2 8.0 1.0
CG E:GLU190 4.3 3.3 1.0
O E:HOH419 4.3 37.1 1.0
O E:ASP185 4.3 11.0 1.0
OD2 E:ASP138 4.4 6.0 1.0
CA E:ILE188 4.4 14.8 1.0
CB E:GLU187 4.5 14.9 1.0
CG E:GLU177 4.5 7.9 1.0
C E:ASP185 4.6 8.8 1.0
N E:GLY189 4.6 16.1 1.0
O E:HOH339 4.7 11.2 1.0
CB E:ASP185 4.7 11.3 1.0
N E:ASP185 4.8 7.6 1.0
O E:HOH342 4.9 5.5 1.0
C E:ILE188 4.9 19.4 1.0
CA E:ASP185 5.0 5.2 1.0
N E:GLU190 5.0 8.2 1.0

Calcium binding site 2 out of 4 in 1tlp

Go back to Calcium Binding Sites List in 1tlp
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:Ca319

b:13.1
occ:1.00
 O E:HOH342 2.2 5.5 1.0
O E:HOH424 2.3 19.4 1.0
OE2 E:GLU177 2.4 14.2 1.0
OE2 E:GLU190 2.4 9.3 1.0
OD1 E:ASP185 2.5 14.5 1.0
O E:ASN183 2.5 14.8 1.0
CD E:GLU177 3.2 10.3 1.0
CD E:GLU190 3.4 8.7 1.0
CG E:ASP185 3.4 8.7 1.0
C E:ASN183 3.6 17.2 1.0
OE1 E:GLU177 3.8 14.7 1.0
CA E:CA318 3.8 12.6 1.0
OD2 E:ASP185 3.8 15.1 1.0
O E:LYS182 3.8 22.2 1.0
CG E:GLU190 3.9 3.3 1.0
OD2 E:ASP191 4.1 12.4 1.0
CG E:GLU177 4.2 7.9 1.0
CB E:ASN183 4.3 24.2 1.0
N E:ASP185 4.3 7.6 1.0
OD1 E:ASP191 4.3 4.1 1.0
CA E:PRO184 4.4 9.1 1.0
OE1 E:GLU190 4.4 2.9 1.0
O E:HOH419 4.4 37.1 1.0
C E:PRO184 4.4 11.1 1.0
N E:PRO184 4.5 16.4 1.0
CG E:ASP191 4.5 10.6 1.0
CB E:ASP185 4.5 11.3 1.0
CA E:ASN183 4.6 18.7 1.0
ND2 E:ASN183 4.8 38.3 1.0
C E:LYS182 4.9 22.7 1.0

Calcium binding site 3 out of 4 in 1tlp

Go back to Calcium Binding Sites List in 1tlp
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:Ca320

b:14.9
occ:1.00
 O E:GLN61 2.2 10.6 1.0
OD1 E:ASP59 2.3 24.3 1.0
O E:HOH447 2.3 17.4 1.0
OD1 E:ASP57 2.3 7.5 1.0
O E:HOH388 2.4 20.8 1.0
O E:HOH431 2.4 15.4 1.0
OD2 E:ASP57 2.8 13.9 1.0
CG E:ASP57 2.9 9.2 1.0
CG E:ASP59 3.4 17.4 1.0
C E:GLN61 3.4 12.6 1.0
OD2 E:ASP59 3.8 12.6 1.0
N E:GLN61 4.0 16.7 1.0
O E:HOH433 4.1 16.8 1.0
CA E:GLN61 4.1 11.4 1.0
N E:ASP59 4.3 13.7 1.0
CB E:ASP57 4.4 8.6 1.0
CB E:GLN61 4.4 17.9 1.0
N E:PHE62 4.5 15.5 1.0
OD2 E:ASP67 4.5 5.7 1.0
O E:HOH452 4.6 10.7 1.0
CB E:ASP59 4.6 4.2 1.0
O E:HOH345 4.7 8.7 1.0
N E:ASN60 4.7 9.4 1.0
CA E:PHE62 4.7 16.5 1.0
CA E:ASP59 4.8 6.7 1.0
N E:ALA58 4.8 6.0 1.0
C E:ASP59 4.9 9.3 1.0

Calcium binding site 4 out of 4 in 1tlp

Go back to Calcium Binding Sites List in 1tlp
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:Ca321

b:20.2
occ:1.00
 OD1 E:ASP200 2.2 8.9 1.0
O E:ILE197 2.3 30.7 1.0
O E:HOH429 2.4 23.5 1.0
OG1 E:THR194 2.4 19.4 1.0
O E:THR194 2.5 11.0 1.0
O E:TYR193 2.5 11.2 1.0
O E:HOH343 2.6 2.8 1.0
C E:THR194 3.2 26.2 1.0
CG E:ASP200 3.4 12.3 1.0
C E:TYR193 3.4 11.3 1.0
C E:ILE197 3.4 28.3 1.0
CB E:THR194 3.6 12.8 1.0
CA E:THR194 3.7 11.8 1.0
N E:THR194 3.8 10.8 1.0
OD2 E:ASP200 3.9 15.7 1.0
CA E:ILE197 4.1 21.9 1.0
O E:ASP200 4.2 14.2 1.0
N E:ILE197 4.2 29.1 1.0
CB E:ILE197 4.2 23.9 1.0
N E:PRO195 4.3 17.6 1.0
N E:SER198 4.4 28.7 1.0
O E:GLU190 4.4 7.7 1.0
CA E:TYR193 4.6 5.9 1.0
N E:ASP200 4.6 26.3 1.0
CA E:SER198 4.6 22.7 1.0
CB E:ASP200 4.6 13.7 1.0
C E:ASP200 4.7 13.4 1.0
CD2 E:TYR193 4.7 10.2 1.0
CB E:TYR193 4.7 9.0 1.0
CA E:PRO195 4.8 17.6 1.0
CA E:ASP200 4.8 10.7 1.0
CG2 E:THR194 4.8 5.6 1.0
O E:HOH449 4.9 47.3 1.0
C E:SER198 4.9 24.6 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 03:21:29 2020

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