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Calcium in PDB 3a83: Crystal Structure of Trypsin Complexed with Pre-Synthesized (E)-4-((2- Nicotinoylhydrazono)Methyl)Benzimidamide

Enzymatic activity of Crystal Structure of Trypsin Complexed with Pre-Synthesized (E)-4-((2- Nicotinoylhydrazono)Methyl)Benzimidamide

All present enzymatic activity of Crystal Structure of Trypsin Complexed with Pre-Synthesized (E)-4-((2- Nicotinoylhydrazono)Methyl)Benzimidamide:
3.4.21.4;

Protein crystallography data

The structure of Crystal Structure of Trypsin Complexed with Pre-Synthesized (E)-4-((2- Nicotinoylhydrazono)Methyl)Benzimidamide, PDB code: 3a83 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) 19.93 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.521, 58.424, 66.555, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 18.4

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with Pre-Synthesized (E)-4-((2- Nicotinoylhydrazono)Methyl)Benzimidamide (pdb code 3a83). 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 Pre-Synthesized (E)-4-((2- Nicotinoylhydrazono)Methyl)Benzimidamide, PDB code: 3a83:

Calcium binding site 1 out of 1 in 3a83

Go back to Calcium Binding Sites List in 3a83
Calcium binding site 1 out of 1 in the Crystal Structure of Trypsin Complexed with Pre-Synthesized (E)-4-((2- Nicotinoylhydrazono)Methyl)Benzimidamide


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 Pre-Synthesized (E)-4-((2- Nicotinoylhydrazono)Methyl)Benzimidamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:7.5
occ:1.00
 OE1 A:GLU70 2.2 5.4 1.0
O A:VAL75 2.3 4.9 1.0
O A:HOH340 2.3 4.9 1.0
OE2 A:GLU80 2.4 5.9 1.0
O A:ASN72 2.4 4.9 1.0
O A:HOH18 2.5 8.2 1.0
CD A:GLU70 3.3 5.3 1.0
C A:VAL75 3.4 5.6 1.0
CD A:GLU80 3.4 6.6 1.0
C A:ASN72 3.5 4.8 1.0
OE2 A:GLU70 3.7 5.4 1.0
CG A:GLU80 3.8 6.1 1.0
CA A:VAL76 4.1 6.6 1.0
N A:GLU77 4.1 7.2 1.0
N A:VAL76 4.2 5.5 1.0
OE1 A:GLU77 4.2 8.6 1.0
N A:VAL75 4.2 5.2 1.0
CA A:ILE73 4.3 4.5 1.0
N A:ILE73 4.3 4.3 1.0
N A:ASN72 4.3 4.5 1.0
CG A:GLU77 4.4 6.7 1.0
CA A:VAL75 4.4 5.3 1.0
CA A:ASN72 4.4 4.7 1.0
O A:HOH9 4.5 7.0 1.0
N A:ASP71 4.5 4.5 1.0
OE1 A:GLU80 4.5 6.5 1.0
C A:ILE73 4.6 4.5 1.0
CG A:GLU70 4.6 4.0 1.0
C A:VAL76 4.6 7.1 1.0
CA A:GLU70 4.7 4.5 1.0
CD A:GLU77 4.7 9.3 1.0
CB A:GLU77 4.8 7.9 1.0
O A:HOH464 4.8 14.5 1.0
CB A:GLU70 4.8 4.8 1.0
CB A:ASN72 4.8 5.0 1.0
C A:ASP71 4.9 4.8 1.0
N A:ASN74 4.9 4.2 1.0
O A:ILE73 5.0 4.4 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 10:30:14 2025

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