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Calcium in PDB 3a7y: Crystal Structure of Trypsin Complexed with (E)-4-((1-Methylpiperidin- 3-Yloxyimino)Methyl)Benzimidamide (Soaking 2HOURS)

Enzymatic activity of Crystal Structure of Trypsin Complexed with (E)-4-((1-Methylpiperidin- 3-Yloxyimino)Methyl)Benzimidamide (Soaking 2HOURS)

All present enzymatic activity of Crystal Structure of Trypsin Complexed with (E)-4-((1-Methylpiperidin- 3-Yloxyimino)Methyl)Benzimidamide (Soaking 2HOURS):
3.4.21.4;

Protein crystallography data

The structure of Crystal Structure of Trypsin Complexed with (E)-4-((1-Methylpiperidin- 3-Yloxyimino)Methyl)Benzimidamide (Soaking 2HOURS), PDB code: 3a7y 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 / 1.81
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.411, 58.545, 66.493, 90.00, 90.00, 90.00
R / Rfree (%) 14 / 17.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with (E)-4-((1-Methylpiperidin- 3-Yloxyimino)Methyl)Benzimidamide (Soaking 2HOURS) (pdb code 3a7y). 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-((1-Methylpiperidin- 3-Yloxyimino)Methyl)Benzimidamide (Soaking 2HOURS), PDB code: 3a7y:

Calcium binding site 1 out of 1 in 3a7y

Go back to Calcium Binding Sites List in 3a7y
Calcium binding site 1 out of 1 in the Crystal Structure of Trypsin Complexed with (E)-4-((1-Methylpiperidin- 3-Yloxyimino)Methyl)Benzimidamide (Soaking 2HOURS)


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-((1-Methylpiperidin- 3-Yloxyimino)Methyl)Benzimidamide (Soaking 2HOURS) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:13.0
occ:1.00
 O A:VAL75 2.2 9.2 1.0
OE1 A:GLU70 2.2 9.8 1.0
O A:ASN72 2.4 7.3 1.0
O A:HOH380 2.4 6.4 1.0
OE2 A:GLU80 2.4 9.5 1.0
O A:HOH419 2.6 11.0 1.0
CD A:GLU70 3.4 8.0 1.0
C A:VAL75 3.4 8.8 1.0
CD A:GLU80 3.4 8.7 1.0
C A:ASN72 3.5 7.4 1.0
CG A:GLU80 3.8 9.5 1.0
OE2 A:GLU70 3.8 7.9 1.0
CA A:VAL76 4.1 9.3 1.0
OE1 A:GLU77 4.1 11.5 1.0
N A:VAL76 4.1 8.4 1.0
N A:GLU77 4.1 9.2 1.0
N A:VAL75 4.2 8.5 1.0
CA A:ILE73 4.3 7.6 1.0
N A:ASN72 4.3 7.4 1.0
N A:ILE73 4.3 6.5 1.0
CG A:GLU77 4.4 10.0 1.0
CA A:VAL75 4.4 8.3 1.0
CA A:ASN72 4.4 7.3 1.0
N A:ASP71 4.5 7.1 1.0
O A:HOH5 4.5 10.5 1.0
OE1 A:GLU80 4.6 9.4 1.0
C A:ILE73 4.6 7.6 1.0
C A:VAL76 4.6 9.5 1.0
CG A:GLU70 4.6 6.5 1.0
CD A:GLU77 4.7 12.0 1.0
CA A:GLU70 4.7 6.8 1.0
CB A:GLU77 4.7 9.8 1.0
O A:HOH505 4.8 20.8 1.0
CB A:GLU70 4.8 6.7 1.0
CB A:ASN72 4.9 7.9 1.0
C A:ASP71 4.9 7.5 1.0
O A:ILE73 4.9 7.6 1.0
N A:ASN74 4.9 7.5 1.0

Reference:

J.Yamane, N.Ooyabu, M.Yao, I.Tanaka. In-Crystal Chemical Ligation For Drug Discovery To Be Published.
Page generated: Sat Jul 13 07:15:23 2024

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