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Calcium in PDB 3rxr: Crystal Structure of Trypsin Complexed with Cycloheptanamine (F01 and F03, Cocktail Experiment)

Enzymatic activity of Crystal Structure of Trypsin Complexed with Cycloheptanamine (F01 and F03, Cocktail Experiment)

All present enzymatic activity of Crystal Structure of Trypsin Complexed with Cycloheptanamine (F01 and F03, Cocktail Experiment):
3.4.21.4;

Protein crystallography data

The structure of Crystal Structure of Trypsin Complexed with Cycloheptanamine (F01 and F03, Cocktail Experiment), PDB code: 3rxr 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 / 1.72
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.522, 57.995, 66.656, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 17.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Trypsin Complexed with Cycloheptanamine (F01 and F03, Cocktail Experiment) (pdb code 3rxr). 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 Cycloheptanamine (F01 and F03, Cocktail Experiment), PDB code: 3rxr:

Calcium binding site 1 out of 1 in 3rxr

Go back to Calcium Binding Sites List in 3rxr
Calcium binding site 1 out of 1 in the Crystal Structure of Trypsin Complexed with Cycloheptanamine (F01 and F03, 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 Cycloheptanamine (F01 and F03, 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 9.5 1.0
O A:VAL75 2.3 11.0 1.0
O A:ASN72 2.4 9.8 1.0
OE2 A:GLU80 2.4 11.0 1.0
O A:HOH321 2.5 9.5 1.0
O A:HOH297 2.5 11.5 1.0
CD A:GLU70 3.4 9.5 1.0
CD A:GLU80 3.4 10.9 1.0
C A:VAL75 3.5 11.0 1.0
C A:ASN72 3.5 9.5 1.0
CG A:GLU80 3.7 11.6 1.0
OE2 A:GLU70 3.8 9.9 1.0
CA A:VAL76 4.2 11.7 1.0
CA A:ILE73 4.2 9.5 1.0
N A:GLU77 4.2 12.2 1.0
N A:VAL76 4.2 11.2 1.0
N A:ILE73 4.3 9.4 1.0
N A:VAL75 4.3 10.1 1.0
OE1 A:GLU77 4.3 12.9 1.0
N A:ASN72 4.4 9.5 1.0
CG A:GLU77 4.4 12.6 1.0
C A:ILE73 4.5 9.4 1.0
CA A:VAL75 4.5 10.7 1.0
O A:HOH322 4.5 10.6 1.0
CA A:ASN72 4.5 9.8 1.0
N A:ASP71 4.5 10.1 1.0
OE1 A:GLU80 4.5 10.4 1.0
CG A:GLU70 4.6 9.5 1.0
C A:VAL76 4.7 12.2 1.0
CA A:GLU70 4.7 10.2 1.0
O A:DMS2 4.8 14.1 1.0
O A:ILE73 4.8 9.3 1.0
CB A:GLU77 4.8 12.6 1.0
CB A:GLU70 4.8 10.3 1.0
CD A:GLU77 4.8 13.2 1.0
N A:ASN74 4.9 9.4 1.0
CB A:ASN72 4.9 9.7 1.0
C A:ASP71 4.9 9.9 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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