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Calcium in PDB 1btw: Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected By Binding or Chemistry on An Enzyme Surface

Enzymatic activity of Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected By Binding or Chemistry on An Enzyme Surface

All present enzymatic activity of Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected By Binding or Chemistry on An Enzyme Surface:
3.4.21.4;

Protein crystallography data

The structure of Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected By Binding or Chemistry on An Enzyme Surface, PDB code: 1btw was solved by R.M.Stroud, B.A.Katz, J.Finer-Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.740, 63.540, 68.930, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected By Binding or Chemistry on An Enzyme Surface (pdb code 1btw). 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 Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected By Binding or Chemistry on An Enzyme Surface, PDB code: 1btw:

Calcium binding site 1 out of 1 in 1btw

Go back to Calcium Binding Sites List in 1btw
Calcium binding site 1 out of 1 in the Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected By Binding or Chemistry on An Enzyme Surface


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected By Binding or Chemistry on An Enzyme Surface within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca246

b:25.1
occ:1.00
 O A:VAL75 2.2 6.0 1.0
O A:ASN72 2.2 8.8 1.0
O A:HOH247 2.3 12.5 1.0
O A:HOH560 2.3 2.9 1.0
OE2 A:GLU80 2.4 10.6 1.0
OE1 A:GLU70 2.4 12.6 1.0
H1 A:HOH560 3.0 0.0 1.0
H1 A:HOH247 3.0 0.0 1.0
H2 A:HOH247 3.1 0.0 1.0
H2 A:HOH560 3.1 0.0 1.0
C A:VAL75 3.3 6.3 1.0
CD A:GLU70 3.4 9.0 1.0
C A:ASN72 3.4 11.5 1.0
CD A:GLU80 3.5 11.1 1.0
H A:VAL75 3.6 0.0 1.0
H A:GLU77 3.6 0.0 1.0
OE2 A:GLU70 3.7 11.9 1.0
H A:ASP71 3.8 0.0 1.0
CA A:VAL76 3.9 7.3 1.0
N A:VAL76 4.0 4.8 1.0
CG A:GLU80 4.0 6.3 1.0
N A:VAL75 4.1 9.0 1.0
N A:GLU77 4.2 11.5 1.0
CA A:ILE73 4.2 12.8 1.0
N A:ILE73 4.2 12.7 1.0
CA A:VAL75 4.3 9.5 1.0
N A:ASN72 4.3 9.8 1.0
C A:ILE73 4.4 12.1 1.0
O A:HOH381 4.4 4.6 1.0
OE1 A:GLU77 4.4 17.0 1.0
CA A:ASN72 4.4 9.8 1.0
H A:ASN72 4.4 0.0 1.0
C A:VAL76 4.5 9.8 1.0
OE1 A:GLU80 4.5 10.1 1.0
CG A:GLU77 4.5 15.4 1.0
N A:ASP71 4.6 7.5 1.0
CB A:ASN72 4.6 11.5 1.0
O A:ILE73 4.7 12.8 1.0
N A:ASN74 4.7 13.2 1.0
CG A:GLU70 4.7 5.4 1.0
CB A:GLU77 4.8 12.9 1.0
CD A:GLU77 4.9 18.2 1.0
CB A:GLU70 4.9 3.2 1.0
H A:ASN74 4.9 0.0 1.0
CB A:VAL75 4.9 8.5 1.0
CA A:GLU70 4.9 2.0 1.0
H A:VAL76 4.9 0.0 1.0
C A:ASP71 5.0 11.3 1.0
H1 A:HOH381 5.0 0.0 1.0

Reference:

B.A.Katz, J.Finer-Moore, R.Mortezaei, D.H.Rich, R.M.Stroud. Episelection: Novel Ki Approximately Nanomolar Inhibitors of Serine Proteases Selected By Binding or Chemistry on An Enzyme Surface. Biochemistry V. 34 8264 1995.
ISSN: ISSN 0006-2960
PubMed: 7599119
DOI: 10.1021/BI00026A008
Page generated: Thu Jul 11 06:33:46 2024

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