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Calcium in PDB 4est: Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution

Enzymatic activity of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution

All present enzymatic activity of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution:
3.4.21.36;

Protein crystallography data

The structure of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution, PDB code: 4est was solved by L.H.Takahashi, R.Radhakrishnan, R.E.Rosenfieldjunior, E.F.Meyerjunior, D.A.Trainor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.240, 58.170, 75.540, 90.00, 90.00, 90.00
R / Rfree (%) 16 / n/a

Other elements in 4est:

The structure of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution (pdb code 4est). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution, PDB code: 4est:

Calcium binding site 1 out of 1 in 4est

Go back to Calcium Binding Sites List in 4est
Calcium binding site 1 out of 1 in the Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha, Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca302

b:4.0
occ:1.00
 O E:GLN75 2.4 12.4 1.0
OE2 E:GLU80 2.4 10.7 1.0
OE1 E:GLU70 2.4 7.9 1.0
O E:ASN72 2.4 15.5 1.0
OD1 E:ASN77 2.5 13.9 1.0
O E:HOH425 2.6 26.9 1.0
CG E:ASN77 3.3 4.7 1.0
CD E:GLU80 3.4 19.9 1.0
CD E:GLU70 3.5 10.4 1.0
C E:GLN75 3.6 36.2 1.0
C E:ASN72 3.6 9.5 1.0
CG E:GLU80 3.8 4.0 1.0
N E:ASN77 3.8 18.3 1.0
OE2 E:GLU70 3.9 19.2 1.0
CB E:ASN77 4.0 6.0 1.0
N E:ASN72 4.1 8.7 1.0
N E:GLN75 4.3 16.8 1.0
CA E:ASN76 4.3 15.7 1.0
CA E:ASN72 4.3 4.0 1.0
ND2 E:ASN77 4.3 4.9 1.0
N E:ASN76 4.4 16.0 1.0
C E:ASN76 4.4 16.9 1.0
OE1 E:GLU80 4.5 14.8 1.0
CA E:ASN77 4.5 9.6 1.0
CA E:GLN75 4.5 18.2 1.0
CB E:ASN72 4.6 4.0 1.0
O E:HOH427 4.6 42.0 1.0
C E:LEU73 4.6 13.1 1.0
N E:LEU73 4.6 15.8 1.0
N E:HIS71 4.7 4.0 1.0
O E:LEU73 4.7 17.3 1.0
CG E:GLU70 4.8 8.1 1.0
CA E:LEU73 4.8 18.8 1.0
OH E:TYR82 4.9 20.5 1.0

Reference:

L.H.Takahashi, R.Radhakrishnan, R.E.Rosenfieldjunior, E.F.Meyerjunior, D.A.Trainor. Crystal Structure of the Covalent Complex Formed By A Peptidyl Alpha,Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution J.Am.Chem.Soc. V. 111 3368 1989.
ISSN: ISSN 0002-7863
Page generated: Sun Jul 14 00:04:33 2024

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