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Bromine 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:

Calcium (Ca) 1 atom

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Trypsin Complexed with (E)-4-((4- Bromophenylimino)Methyl)Benzimidamide, PDB code: 3a8b:

Bromine binding site 1 out of 1 in 3a8b

Go back to Bromine Binding Sites List in 3a8b
Bromine 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 Bromine with other atoms in the Br 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:Br13

b:33.8
occ:1.00
 BR A:BR613 0.0 33.8 1.0
C1 A:BR613 1.9 31.2 1.0
C4 A:BR613 2.9 31.2 1.0
C2 A:BR613 2.9 31.7 1.0
O A:HOH484 3.2 28.4 1.0
O A:HOH432 3.5 23.3 1.0
C5 A:BR613 4.2 31.1 1.0
C3 A:BR613 4.2 31.8 1.0
CB A:HIS58 4.2 7.2 1.0
CD2 A:HIS58 4.2 6.6 1.0
O A:HIS58 4.4 7.9 1.0
CG A:HIS58 4.5 7.5 1.0
O A:HOH329 4.5 12.8 1.0
C6 A:BR613 4.7 30.6 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: Wed Jul 10 19:07:18 2024

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