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Calcium in PDB 3a80: Crystal Structure of Trypsin Complexed with (E)-2-(4- Carbamimidoylbenzylideneaminooxy)-2-Methylpropanoic Acid (Soaking 40SECONDS)

Enzymatic activity of Crystal Structure of Trypsin Complexed with (E)-2-(4- Carbamimidoylbenzylideneaminooxy)-2-Methylpropanoic Acid (Soaking 40SECONDS)

All present enzymatic activity of Crystal Structure of Trypsin Complexed with (E)-2-(4- Carbamimidoylbenzylideneaminooxy)-2-Methylpropanoic Acid (Soaking 40SECONDS):
3.4.21.4;

Protein crystallography data

The structure of Crystal Structure of Trypsin Complexed with (E)-2-(4- Carbamimidoylbenzylideneaminooxy)-2-Methylpropanoic Acid (Soaking 40SECONDS), PDB code: 3a80 was solved by J.Yamane, M.Yao, I.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.65 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.101, 56.818, 66.140, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 19.3

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with (E)-2-(4- Carbamimidoylbenzylideneaminooxy)-2-Methylpropanoic Acid (Soaking 40SECONDS) (pdb code 3a80). 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 Trypsin Complexed with (E)-2-(4- Carbamimidoylbenzylideneaminooxy)-2-Methylpropanoic Acid (Soaking 40SECONDS), PDB code: 3a80:

Calcium binding site 1 out of 1 in 3a80

Go back to Calcium Binding Sites List in 3a80
Calcium binding site 1 out of 1 in the Crystal Structure of Trypsin Complexed with (E)-2-(4- Carbamimidoylbenzylideneaminooxy)-2-Methylpropanoic Acid (Soaking 40SECONDS)


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 Trypsin Complexed with (E)-2-(4- Carbamimidoylbenzylideneaminooxy)-2-Methylpropanoic Acid (Soaking 40SECONDS) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:34.7
occ:1.00
 O A:HOH476 2.1 19.2 1.0
O A:VAL75 2.2 16.5 1.0
OE2 A:GLU70 2.4 20.0 1.0
O A:HOH457 2.4 19.1 1.0
O A:ASN72 2.4 14.7 1.0
OE2 A:GLU80 2.5 17.5 1.0
C A:VAL75 3.4 16.8 1.0
CD A:GLU80 3.5 18.3 1.0
C A:ASN72 3.5 14.8 1.0
CD A:GLU70 3.6 19.7 1.0
CG A:GLU80 3.7 17.3 1.0
CA A:VAL76 4.1 19.8 1.0
N A:GLU77 4.1 21.3 1.0
OE1 A:GLU77 4.1 29.4 1.0
N A:VAL76 4.1 17.7 1.0
CG A:GLU77 4.2 25.8 1.0
OE1 A:GLU70 4.2 21.7 1.0
N A:ASN72 4.2 14.7 1.0
N A:VAL75 4.3 15.5 1.0
N A:ASP71 4.3 15.1 1.0
CA A:ASN72 4.4 14.7 1.0
CA A:VAL75 4.4 16.0 1.0
N A:ILE73 4.4 15.4 1.0
CA A:ILE73 4.5 16.1 1.0
O A:HOH324 4.5 25.6 1.0
CA A:GLU70 4.5 14.5 1.0
C A:VAL76 4.5 20.7 1.0
CD A:GLU77 4.6 26.4 1.0
CB A:GLU77 4.6 23.7 1.0
OE1 A:GLU80 4.6 15.5 1.0
CG A:GLU70 4.7 16.1 1.0
CB A:GLU70 4.7 14.3 1.0
C A:ILE73 4.7 16.0 1.0
CB A:ASN72 4.7 15.2 1.0
O A:HOH447 4.9 29.8 1.0
C A:ASP71 4.9 15.0 1.0
CA A:GLU77 5.0 24.0 1.0
C A:GLU70 5.0 14.8 1.0

Reference:

J.Yamane, N.Ooyabu, M.Yao, H.Takemoto, I.Tanaka. In-Crystal Chemical Ligation For Drug Discovery To Be Published.
Page generated: Tue Jul 8 10:29:19 2025

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