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Calcium in PDB 1pph: Geometry of Binding of the Nalpha-Tosylated Piperidides of M-Amidino-, P-Amidino-and P-Guanidino Phenylalanine to Thrombin and Trypsin: X- Ray Crystal Structures of Their Trypsin Complexes and Modeling of Their Thrombin Complexes

Enzymatic activity of Geometry of Binding of the Nalpha-Tosylated Piperidides of M-Amidino-, P-Amidino-and P-Guanidino Phenylalanine to Thrombin and Trypsin: X- Ray Crystal Structures of Their Trypsin Complexes and Modeling of Their Thrombin Complexes

All present enzymatic activity of Geometry of Binding of the Nalpha-Tosylated Piperidides of M-Amidino-, P-Amidino-and P-Guanidino Phenylalanine to Thrombin and Trypsin: X- Ray Crystal Structures of Their Trypsin Complexes and Modeling of Their Thrombin Complexes:
3.4.21.4;

Protein crystallography data

The structure of Geometry of Binding of the Nalpha-Tosylated Piperidides of M-Amidino-, P-Amidino-and P-Guanidino Phenylalanine to Thrombin and Trypsin: X- Ray Crystal Structures of Their Trypsin Complexes and Modeling of Their Thrombin Complexes, PDB code: 1pph was solved by W.Bode, D.Turk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.510, 69.190, 63.810, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Geometry of Binding of the Nalpha-Tosylated Piperidides of M-Amidino-, P-Amidino-and P-Guanidino Phenylalanine to Thrombin and Trypsin: X- Ray Crystal Structures of Their Trypsin Complexes and Modeling of Their Thrombin Complexes (pdb code 1pph). 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 Geometry of Binding of the Nalpha-Tosylated Piperidides of M-Amidino-, P-Amidino-and P-Guanidino Phenylalanine to Thrombin and Trypsin: X- Ray Crystal Structures of Their Trypsin Complexes and Modeling of Their Thrombin Complexes, PDB code: 1pph:

Calcium binding site 1 out of 1 in 1pph

Go back to Calcium Binding Sites List in 1pph
Calcium binding site 1 out of 1 in the Geometry of Binding of the Nalpha-Tosylated Piperidides of M-Amidino-, P-Amidino-and P-Guanidino Phenylalanine to Thrombin and Trypsin: X- Ray Crystal Structures of Their Trypsin Complexes and Modeling of Their Thrombin Complexes


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Geometry of Binding of the Nalpha-Tosylated Piperidides of M-Amidino-, P-Amidino-and P-Guanidino Phenylalanine to Thrombin and Trypsin: X- Ray Crystal Structures of Their Trypsin Complexes and Modeling of Their Thrombin Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca246

b:5.7
occ:1.00
O E:HOH600 2.3 3.8 1.0
O E:VAL75 2.3 5.3 1.0
O E:HOH617 2.3 5.4 1.0
O E:ASN72 2.4 5.1 1.0
OE1 E:GLU70 2.4 5.7 1.0
OE2 E:GLU80 2.5 5.6 1.0
CD E:GLU70 3.5 5.6 1.0
C E:VAL75 3.5 6.3 1.0
CD E:GLU80 3.5 6.5 1.0
C E:ASN72 3.6 5.2 1.0
CG E:GLU80 3.8 6.2 1.0
OE2 E:GLU70 3.8 6.0 1.0
CA E:VAL76 4.1 8.2 1.0
N E:VAL76 4.2 6.7 1.0
N E:GLU77 4.2 8.7 1.0
CA E:ILE73 4.3 5.9 1.0
N E:VAL75 4.3 6.8 1.0
N E:ILE73 4.3 5.2 1.0
OE1 E:GLU77 4.4 9.4 1.0
CG E:GLU77 4.4 8.8 1.0
O E:HOH597 4.4 2.8 1.0
N E:ASN72 4.5 4.7 1.0
CA E:VAL75 4.5 7.3 1.0
CA E:ASN72 4.5 5.2 1.0
C E:ILE73 4.5 6.7 1.0
OE1 E:GLU80 4.6 7.2 1.0
C E:VAL76 4.6 9.4 1.0
O E:HOH619 4.7 10.1 1.0
N E:ASP71 4.7 4.3 1.0
CB E:ASN72 4.8 5.7 1.0
CG E:GLU70 4.8 4.4 1.0
CB E:GLU77 4.8 8.7 1.0
CD E:GLU77 4.8 9.7 1.0
O E:ILE73 4.9 6.4 1.0
CA E:GLU70 4.9 3.8 1.0
N E:ASN74 4.9 7.0 1.0
CB E:GLU70 5.0 3.9 1.0

Reference:

D.Turk, J.Sturzebecher, W.Bode. Geometry of Binding of the N Alpha-Tosylated Piperidides of M-Amidino-, P-Amidino- and P-Guanidino Phenylalanine to Thrombin and Trypsin. X-Ray Crystal Structures of Their Trypsin Complexes and Modeling of Their Thrombin Complexes. Febs Lett. V. 287 133 1991.
ISSN: ISSN 0014-5793
PubMed: 1879520
DOI: 10.1016/0014-5793(91)80033-Y
Page generated: Sat Dec 12 03:14:29 2020

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