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Calcium in PDB 2ayw: Crystal Structure of the Complex Formed Between Trypsin and A Designed Synthetic Highly Potent Inhibitor in the Presence of Benzamidine at 0.97 A Resolution

Enzymatic activity of Crystal Structure of the Complex Formed Between Trypsin and A Designed Synthetic Highly Potent Inhibitor in the Presence of Benzamidine at 0.97 A Resolution

All present enzymatic activity of Crystal Structure of the Complex Formed Between Trypsin and A Designed Synthetic Highly Potent Inhibitor in the Presence of Benzamidine at 0.97 A Resolution:
3.4.21.4;

Protein crystallography data

The structure of Crystal Structure of the Complex Formed Between Trypsin and A Designed Synthetic Highly Potent Inhibitor in the Presence of Benzamidine at 0.97 A Resolution, PDB code: 2ayw was solved by M.Sherawat, P.Kaur, M.Perbandt, C.Betzel, W.A.Slusarchyk, G.S.Bisacchi, C.Chang, B.L.Jacobson, H.M.Einspahr, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 0.97
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 68.550, 68.550, 73.330, 90.00, 90.00, 120.00
R / Rfree (%) 13.4 / 15.7

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Complex Formed Between Trypsin and A Designed Synthetic Highly Potent Inhibitor in the Presence of Benzamidine at 0.97 A Resolution (pdb code 2ayw). 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 the Complex Formed Between Trypsin and A Designed Synthetic Highly Potent Inhibitor in the Presence of Benzamidine at 0.97 A Resolution, PDB code: 2ayw:

Calcium binding site 1 out of 1 in 2ayw

Go back to Calcium Binding Sites List in 2ayw
Calcium binding site 1 out of 1 in the Crystal Structure of the Complex Formed Between Trypsin and A Designed Synthetic Highly Potent Inhibitor in the Presence of Benzamidine at 0.97 A Resolution


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 the Complex Formed Between Trypsin and A Designed Synthetic Highly Potent Inhibitor in the Presence of Benzamidine at 0.97 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca250

b:8.6
occ:1.00
 OE1 A:GLU70 2.3 8.7 1.0
O A:VAL75 2.3 10.2 1.0
O A:ASN72 2.3 8.9 1.0
OE2 A:GLU80 2.3 9.2 1.0
O A:HOH922 2.4 9.4 1.0
O A:HOH940 2.4 9.1 1.0
CD A:GLU70 3.3 7.7 1.0
CD A:GLU80 3.4 9.3 1.0
C A:VAL75 3.4 11.1 1.0
C A:ASN72 3.5 8.6 1.0
CG A:GLU80 3.7 9.5 1.0
OE2 A:GLU70 3.7 8.7 1.0
N A:GLU77 4.1 11.6 1.0
CA A:VAL76 4.2 12.8 1.0
N A:VAL76 4.2 11.9 1.0
CA A:ILE73 4.2 8.5 1.0
N A:VAL75 4.3 10.9 1.0
OE1 A:GLU77 4.3 9.9 1.0
N A:ILE73 4.3 8.5 1.0
N A:ASN72 4.4 8.3 1.0
CA A:ASN72 4.4 8.7 1.0
CG A:GLU77 4.5 11.1 1.0
O A:HOH1097 4.5 9.7 1.0
CA A:VAL75 4.5 11.4 1.0
C A:ILE73 4.5 9.1 1.0
OE1 A:GLU80 4.5 9.7 1.0
C A:VAL76 4.6 12.3 1.0
N A:ASP71 4.6 7.5 1.0
CG A:GLU70 4.7 7.7 1.0
CB A:GLU77 4.7 10.9 1.0
CB A:ASN72 4.7 9.0 1.0
O A:HOH976 4.8 18.4 1.0
CA A:GLU70 4.8 7.4 1.0
CD A:GLU77 4.8 10.6 1.0
N A:ASN74 4.8 9.7 1.0
O A:ILE73 4.9 9.8 1.0
CB A:GLU70 4.9 7.4 1.0

Reference:

M.Sherawat, P.Kaur, M.Perbandt, C.Betzel, W.A.Slusarchyk, G.S.Bisacchi, C.Chang, B.L.Jacobson, H.M.Einspahr, T.P.Singh. Structure of the Complex of Trypsin with A Highly Potent Synthetic Inhibitor at 0.97 A Resolution. Acta Crystallogr.,Sect.D V. 63 500 2007.
ISSN: ISSN 0907-4449
PubMed: 17372355
DOI: 10.1107/S090744490700697X
Page generated: Fri Jul 12 08:53:46 2024

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