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Calcium in PDB 3a8b: Crystal Structure of Trypsin Complexed with (E)-4-((4- Bromophenylimino)Methyl)Benzimidamide

Enzymatic activity of Crystal Structure of Trypsin Complexed with (E)-4-((4- Bromophenylimino)Methyl)Benzimidamide

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

Protein crystallography data

The structure of Crystal Structure of Trypsin Complexed with (E)-4-((4- Bromophenylimino)Methyl)Benzimidamide, PDB code: 3a8b 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) 19.83 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.229, 58.161, 66.722, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 18.9

Other elements in 3a8b:

The structure of Crystal Structure of Trypsin Complexed with (E)-4-((4- Bromophenylimino)Methyl)Benzimidamide also contains other interesting chemical elements:

Bromine (Br) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with (E)-4-((4- Bromophenylimino)Methyl)Benzimidamide (pdb code 3a8b). 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)-4-((4- Bromophenylimino)Methyl)Benzimidamide, PDB code: 3a8b:

Calcium binding site 1 out of 1 in 3a8b

Go back to Calcium Binding Sites List in 3a8b
Calcium binding site 1 out of 1 in the Crystal Structure of Trypsin Complexed with (E)-4-((4- Bromophenylimino)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 (E)-4-((4- Bromophenylimino)Methyl)Benzimidamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:9.2
occ:1.00
 OE1 A:GLU70 2.3 7.5 1.0
O A:VAL75 2.3 8.5 1.0
OE2 A:GLU80 2.3 8.0 1.0
O A:ASN72 2.4 8.0 1.0
O A:HOH299 2.4 7.9 1.0
O A:HOH257 2.4 9.4 1.0
CD A:GLU80 3.3 8.3 1.0
CD A:GLU70 3.4 7.8 1.0
C A:VAL75 3.4 9.1 1.0
C A:ASN72 3.5 7.4 1.0
CG A:GLU80 3.7 9.3 1.0
OE2 A:GLU70 3.8 8.2 1.0
CA A:VAL76 4.2 10.3 1.0
CA A:ILE73 4.2 7.8 1.0
N A:GLU77 4.2 10.1 1.0
N A:VAL76 4.2 9.1 1.0
N A:VAL75 4.2 8.4 1.0
N A:ILE73 4.3 7.5 1.0
OE1 A:GLU77 4.3 11.1 1.0
N A:ASN72 4.4 6.8 1.0
CA A:VAL75 4.4 8.9 1.0
CG A:GLU77 4.4 9.5 1.0
CA A:ASN72 4.5 7.4 1.0
C A:ILE73 4.5 7.5 1.0
OE1 A:GLU80 4.5 8.3 1.0
N A:ASP71 4.5 7.2 1.0
O A:HOH304 4.5 9.1 1.0
CG A:GLU70 4.6 6.9 1.0
C A:VAL76 4.7 10.6 1.0
CA A:GLU70 4.7 7.3 1.0
O A:ILE73 4.8 7.2 1.0
CB A:GLU77 4.8 10.2 1.0
CD A:GLU77 4.8 11.8 1.0
CB A:GLU70 4.9 6.9 1.0
N A:ASN74 4.9 7.2 1.0
C A:ASP71 4.9 7.4 1.0
C1 A:DMS2 4.9 10.1 1.0
CB A:ASN72 4.9 7.5 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 10:31:43 2025

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