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Calcium in PDB 1btp: Unique Binding of A Novel Synthetic Inhibitor, N-[3-[4-[4- (Amidinophenoxy)-Carbonyl]Phenyl]-2-Methyl-2-Propenoyl]-N- Allylglycine Methanesulfonate to Bovine Trypsin, Revealed By the Crystal Structure of the Complex

Enzymatic activity of Unique Binding of A Novel Synthetic Inhibitor, N-[3-[4-[4- (Amidinophenoxy)-Carbonyl]Phenyl]-2-Methyl-2-Propenoyl]-N- Allylglycine Methanesulfonate to Bovine Trypsin, Revealed By the Crystal Structure of the Complex

All present enzymatic activity of Unique Binding of A Novel Synthetic Inhibitor, N-[3-[4-[4- (Amidinophenoxy)-Carbonyl]Phenyl]-2-Methyl-2-Propenoyl]-N- Allylglycine Methanesulfonate to Bovine Trypsin, Revealed By the Crystal Structure of the Complex:
3.4.21.4;

Protein crystallography data

The structure of Unique Binding of A Novel Synthetic Inhibitor, N-[3-[4-[4- (Amidinophenoxy)-Carbonyl]Phenyl]-2-Methyl-2-Propenoyl]-N- Allylglycine Methanesulfonate to Bovine Trypsin, Revealed By the Crystal Structure of the Complex, PDB code: 1btp was solved by Y.Odagaki, H.Nakai, K.Senokuchi, M.Kawamura, N.Hamanaka, M.Nakamura, K.Tomoo, T.Ishida, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.740, 63.080, 69.380, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Unique Binding of A Novel Synthetic Inhibitor, N-[3-[4-[4- (Amidinophenoxy)-Carbonyl]Phenyl]-2-Methyl-2-Propenoyl]-N- Allylglycine Methanesulfonate to Bovine Trypsin, Revealed By the Crystal Structure of the Complex (pdb code 1btp). 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 Unique Binding of A Novel Synthetic Inhibitor, N-[3-[4-[4- (Amidinophenoxy)-Carbonyl]Phenyl]-2-Methyl-2-Propenoyl]-N- Allylglycine Methanesulfonate to Bovine Trypsin, Revealed By the Crystal Structure of the Complex, PDB code: 1btp:

Calcium binding site 1 out of 1 in 1btp

Go back to Calcium Binding Sites List in 1btp
Calcium binding site 1 out of 1 in the Unique Binding of A Novel Synthetic Inhibitor, N-[3-[4-[4- (Amidinophenoxy)-Carbonyl]Phenyl]-2-Methyl-2-Propenoyl]-N- Allylglycine Methanesulfonate to Bovine Trypsin, Revealed By the Crystal Structure of the Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Unique Binding of A Novel Synthetic Inhibitor, N-[3-[4-[4- (Amidinophenoxy)-Carbonyl]Phenyl]-2-Methyl-2-Propenoyl]-N- Allylglycine Methanesulfonate to Bovine Trypsin, Revealed By the Crystal Structure of the Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca2

b:2.0
occ:1.00
 O A:HOH268 1.6 16.0 1.0
O A:HOH266 1.6 6.0 1.0
O A:VAL75 1.7 20.9 1.0
O A:ASN72 2.0 18.9 1.0
OE2 A:GLU80 2.7 16.8 1.0
OE1 A:GLU70 2.8 23.0 1.0
C A:VAL75 2.9 15.9 1.0
C A:ASN72 3.3 16.9 1.0
N A:VAL75 3.7 13.7 1.0
O A:HOH254 3.7 19.9 1.0
N A:VAL76 3.7 13.6 1.0
CD A:GLU80 3.8 16.3 1.0
CD A:GLU70 3.8 17.6 1.0
CA A:VAL76 3.9 15.7 1.0
CA A:VAL75 3.9 12.8 1.0
CA A:ILE73 4.0 14.3 1.0
OE2 A:GLU70 4.1 21.8 1.0
C A:ILE73 4.1 13.4 1.0
N A:ILE73 4.1 16.4 1.0
CG A:GLU80 4.1 11.6 1.0
O A:ILE73 4.3 15.6 1.0
CA A:ASN72 4.4 17.2 1.0
N A:ASN74 4.4 12.4 1.0
N A:GLU77 4.4 13.7 1.0
OE1 A:GLU77 4.4 20.1 1.0
O A:HOH267 4.5 18.7 1.0
N A:ASN72 4.5 17.1 1.0
CB A:ASN72 4.6 14.7 1.0
CG A:GLU77 4.6 12.4 1.0
C A:VAL76 4.6 16.8 1.0
C A:ASN74 4.6 13.3 1.0
CB A:VAL75 4.7 14.9 1.0
O A:HOH258 4.8 18.1 1.0
OE1 A:GLU80 4.8 19.4 1.0
CD A:GLU77 5.0 17.9 1.0

Reference:

Y.Odagaki, H.Nakai, K.Senokuchi, M.Kawamura, N.Hamanaka, M.Nakamura, K.Tomoo, T.Ishida. Unique Binding of A Novel Synthetic Inhibitor, N-[3-[4-[4-(Amidinophenoxy)Carbonyl]Phenyl]-2- Methyl-2-Propenoyl]- N-Allylglycine Methanesulfonate, to Bovine Trypsin, Revealed By the Crystal Structure of the Complex. Biochemistry V. 34 12849 1995.
ISSN: ISSN 0006-2960
PubMed: 7548040
DOI: 10.1021/BI00039A046
Page generated: Thu Jul 11 06:33:33 2024

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