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Calcium in PDB 3rxq: Crystal Structure of Trypsin Complexed with Benzamide (F01 and F05, Cocktail Experiment)

Enzymatic activity of Crystal Structure of Trypsin Complexed with Benzamide (F01 and F05, Cocktail Experiment)

All present enzymatic activity of Crystal Structure of Trypsin Complexed with Benzamide (F01 and F05, Cocktail Experiment):
3.4.21.4;

Protein crystallography data

The structure of Crystal Structure of Trypsin Complexed with Benzamide (F01 and F05, Cocktail Experiment), PDB code: 3rxq was solved by J.Yamane, M.Yao, Y.Zhou, I.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.86 / 1.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.315, 58.234, 66.782, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 18.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with Benzamide (F01 and F05, Cocktail Experiment) (pdb code 3rxq). 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 Benzamide (F01 and F05, Cocktail Experiment), PDB code: 3rxq:

Calcium binding site 1 out of 1 in 3rxq

Go back to Calcium Binding Sites List in 3rxq
Calcium binding site 1 out of 1 in the Crystal Structure of Trypsin Complexed with Benzamide (F01 and F05, Cocktail Experiment)


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 Benzamide (F01 and F05, Cocktail Experiment) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:2.0
occ:1.00
 OE1 A:GLU70 2.3 9.9 1.0
O A:VAL75 2.3 10.8 1.0
O A:HOH339 2.4 10.4 1.0
OE2 A:GLU80 2.4 11.7 1.0
O A:ASN72 2.4 9.2 1.0
O A:HOH308 2.5 13.8 1.0
CD A:GLU70 3.4 10.3 1.0
C A:VAL75 3.4 10.7 1.0
CD A:GLU80 3.4 11.5 1.0
C A:ASN72 3.5 9.1 1.0
CG A:GLU80 3.7 11.7 1.0
OE2 A:GLU70 3.8 10.7 1.0
CA A:VAL76 4.1 11.4 1.0
N A:GLU77 4.2 11.8 1.0
N A:VAL76 4.2 10.9 1.0
CA A:ILE73 4.2 9.0 1.0
N A:VAL75 4.2 9.9 1.0
OE1 A:GLU77 4.2 13.1 1.0
N A:ILE73 4.3 8.9 1.0
N A:ASN72 4.4 9.0 1.0
CG A:GLU77 4.4 12.6 1.0
CA A:VAL75 4.4 10.3 1.0
CA A:ASN72 4.5 9.2 1.0
N A:ASP71 4.5 9.6 1.0
C A:ILE73 4.5 8.9 1.0
O A:HOH13 4.5 11.1 1.0
OE1 A:GLU80 4.6 11.0 1.0
CG A:GLU70 4.6 9.5 1.0
CA A:GLU70 4.6 9.5 1.0
C A:VAL76 4.6 11.8 1.0
CB A:GLU70 4.8 9.5 1.0
CD A:GLU77 4.8 13.5 1.0
O A:DMS2 4.8 15.9 1.0
CB A:GLU77 4.8 12.4 1.0
O A:ILE73 4.9 9.0 1.0
CB A:ASN72 4.9 9.4 1.0
N A:ASN74 4.9 8.9 1.0
C A:ASP71 4.9 9.5 1.0

Reference:

J.Yamane, M.Yao, Y.Zhou, Y.Hiramatsu, K.Fujiwara, T.Yamaguchi, H.Yamaguchi, H.Togame, H.Tsujishita, H.Takemoto, I.Tanaka. In-Crystal Affinity Ranking of Fragment Hit Compounds Reveals A Relationship with Their Inhibitory Activities J.Appl.Crystallogr. V. 44 798 2011.
ISSN: ISSN 0021-8898
DOI: 10.1107/S0021889811017717
Page generated: Tue Jul 8 16:28:13 2025

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