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Calcium in PDB 1p7w: Crystal Structure of the Complex of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution

Enzymatic activity of Crystal Structure of the Complex of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution

All present enzymatic activity of Crystal Structure of the Complex of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution:
3.4.21.64;

Protein crystallography data

The structure of Crystal Structure of the Complex of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution, PDB code: 1p7w was solved by S.Bilgrami, M.Perbandt, V.Chandra, S.Banumathi, P.Kaur, C.Betzel, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.02
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.835, 67.835, 101.563, 90.00, 90.00, 90.00
R / Rfree (%) 12.9 / 14.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Complex of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution (pdb code 1p7w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Complex of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution, PDB code: 1p7w:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1p7w

Go back to Calcium Binding Sites List in 1p7w
Calcium binding site 1 out of 2 in the Crystal Structure of the Complex of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic 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 of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca480

b:4.8
occ:1.00
 O A:VAL177 2.4 5.4 1.0
O A:PRO175 2.4 5.4 1.0
O A:HOH831 2.4 7.7 1.0
O A:HOH510 2.4 5.6 1.0
O A:HOH509 2.4 6.5 1.0
OD2 A:ASP200 2.4 4.9 1.0
O A:HOH781 2.5 7.2 1.0
OD1 A:ASP200 2.7 6.2 1.0
CG A:ASP200 2.9 4.9 1.0
C A:PRO175 3.5 5.3 1.0
C A:VAL177 3.6 4.5 1.0
O A:HOH641 3.6 7.4 1.0
HA A:CYS178 3.7 4.1 1.0
HA A:PRO175 3.8 6.3 1.0
H A:THR179 3.9 4.2 1.0
H A:VAL177 4.1 4.8 1.0
N A:VAL177 4.2 4.7 1.0
CA A:PRO175 4.3 6.1 1.0
O A:VAL198 4.3 5.9 1.0
HA A:SER176 4.4 5.2 1.0
C A:SER176 4.4 4.8 1.0
CB A:ASP200 4.4 5.0 1.0
N A:SER176 4.4 5.1 1.0
CA A:CYS178 4.5 4.0 1.0
N A:CYS178 4.5 4.1 1.0
O A:GLU174 4.5 5.0 1.0
CA A:VAL177 4.5 4.8 1.0
O A:HOH508 4.6 37.4 1.0
O A:HOH891 4.6 21.5 1.0
N A:THR179 4.6 4.1 1.0
O A:HOH617 4.6 18.6 1.0
CA A:SER176 4.6 5.2 1.0
HG21 A:VAL198 4.6 7.8 1.0
O A:HOH521 4.7 8.2 1.0
HB2 A:ASP200 4.7 4.8 1.0
HB3 A:ASP200 4.8 4.8 1.0
HB A:THR179 4.8 4.4 1.0
OG1 A:THR179 4.8 4.7 1.0
HG1 A:THR179 4.9 4.5 0.0
HG23 A:VAL198 4.9 7.8 1.0
SG A:CYS249 4.9 5.2 1.0
O A:SER176 4.9 5.8 1.0
HG23 A:VAL177 5.0 5.7 1.0

Calcium binding site 2 out of 2 in 1p7w

Go back to Calcium Binding Sites List in 1p7w
Calcium binding site 2 out of 2 in the Crystal Structure of the Complex of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Complex of Proteinase K with A Designed Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca481

b:50.8
occ:1.00
 HB3 A:SER17 2.6 8.9 1.0
O A:HOH727 2.9 28.4 1.0
HB2 A:SER17 3.1 8.9 1.0
CB A:SER17 3.2 8.8 1.0
O A:HOH776 3.3 20.7 1.0
HA A:SER17 3.3 6.8 1.0
HD2 A:PRO18 3.6 6.2 1.0
CA A:SER17 3.8 6.7 1.0
O A:THR16 4.3 10.7 1.0
OG A:SER17 4.5 19.3 1.0
CD A:PRO18 4.5 6.5 1.0
N A:SER17 4.5 6.5 1.0
HG A:SER17 4.6 29.6 0.0
HD3 A:PRO18 4.6 6.2 1.0
C A:THR16 4.7 7.5 1.0
O A:HOH797 4.8 74.6 1.0
O A:HOH705 4.8 21.3 1.0
C A:SER17 5.0 5.5 1.0

Reference:

S.Bilgrami, M.Perbandt, V.Chandra, S.Banumathi, P.Kaur, C.Betzel, T.P.Singh. Crystal Structure of the Complex of Proteinase K with Heptapeptide Inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at Atomic Resolution To Be Published.
Page generated: Thu Jul 11 13:40:02 2024

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