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Calcium in PDB 4zar: Crystal Structure of Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A Resolution

Enzymatic activity of Crystal Structure of Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A Resolution

All present enzymatic activity of Crystal Structure of Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A Resolution:
3.4.21.64;

Protein crystallography data

The structure of Crystal Structure of Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A Resolution, PDB code: 4zar was solved by M.R.Sawaya, D.Cascio, M.Collazo, C.Bond, A.Cohen, A.Denicola, K.Eden, K.Jain, C.Leung, N.Lubock, J.Mccormick, J.Rosinski, L.Spiegelman, Y.Athar, N.Tibrewal, J.Winter, S.Solomon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.58 / 1.15
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.850, 67.850, 102.510, 90.00, 90.00, 90.00
R / Rfree (%) 11 / 13.5

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A Resolution (pdb code 4zar). 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 Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A Resolution, PDB code: 4zar:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4zar

Go back to Calcium Binding Sites List in 4zar
Calcium binding site 1 out of 2 in the Crystal Structure of Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 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 Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:12.6
occ:1.00
 O A:VAL177 2.4 11.7 1.0
O A:HOH509 2.4 17.6 1.0
O A:PRO175 2.4 13.1 1.0
O A:HOH444 2.4 14.8 1.0
O A:HOH498 2.4 12.5 1.0
OD2 A:ASP200 2.4 12.0 1.0
O A:HOH601 2.5 16.6 1.0
OD1 A:ASP200 2.6 15.6 1.0
CG A:ASP200 2.9 12.3 1.0
C A:PRO175 3.5 12.0 1.0
C A:VAL177 3.6 10.0 1.0
HA A:CYS178 3.7 10.5 0.5
HA A:CYS178 3.8 10.5 0.5
H A:THR179 3.8 9.9 1.0
HA A:PRO175 3.9 13.9 1.0
N A:VAL177 4.2 11.3 1.0
H A:VAL177 4.2 11.3 1.0
CA A:PRO175 4.3 13.3 1.0
O A:VAL198 4.3 14.1 1.0
CB A:ASP200 4.4 11.8 1.0
HA A:SER176 4.4 12.1 1.0
C A:SER176 4.4 12.0 1.0
N A:SER176 4.5 11.7 1.0
CA A:CYS178 4.5 9.9 0.5
N A:CYS178 4.5 9.8 1.0
O A:GLU174 4.5 11.9 1.0
CA A:CYS178 4.5 9.8 0.5
O A:HOH679 4.5 29.5 1.0
CA A:VAL177 4.6 10.5 1.0
N A:THR179 4.6 9.4 1.0
HH12 A:ARG250 4.6 27.1 0.3
CA A:SER176 4.7 12.0 1.0
O A:HOH495 4.7 24.5 1.0
HB2 A:ASP200 4.7 12.2 1.0
HH11 A:ARG250 4.7 26.6 0.3
O A:HOH478 4.7 17.2 1.0
HG21 A:VAL198 4.8 17.0 1.0
HB3 A:ASP200 4.8 12.1 1.0
OG1 A:THR179 4.8 10.4 1.0
HB A:THR179 4.8 10.1 1.0
HG23 A:VAL177 4.8 12.6 1.0
HG23 A:VAL198 4.8 17.3 1.0
SG A:CYS249 4.9 19.0 0.5
HG1 A:THR179 4.9 10.5 0.0
NH1 A:ARG250 5.0 24.4 0.3
O A:SER176 5.0 13.3 1.0

Calcium binding site 2 out of 2 in 4zar

Go back to Calcium Binding Sites List in 4zar
Calcium binding site 2 out of 2 in the Crystal Structure of Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A 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 Proteinase K From Engyodontium Albuminhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:16.8
occ:0.75
 O A:THR16 2.3 18.5 1.0
O A:HOH457 2.4 20.9 1.0
O A:HOH633 2.4 27.0 1.0
O A:HOH565 2.4 26.9 0.7
O A:HOH635 2.4 22.2 1.0
OD2 A:ASP260 2.5 18.7 1.0
OD1 A:ASP260 2.5 20.3 1.0
O A:HOH565 2.6 26.7 0.3
CG A:ASP260 2.8 20.7 1.0
C A:THR16 3.6 13.6 1.0
HA A:SER17 3.8 13.0 1.0
HB A:THR16 3.8 15.8 1.0
HH22 A:ARG12 3.8 12.3 1.0
HB3 A:ASN257 4.2 12.6 1.0
HA A:THR16 4.3 12.6 1.0
CB A:ASP260 4.3 16.2 1.0
OD1 A:ASN257 4.4 14.0 1.0
CA A:THR16 4.4 12.0 1.0
N A:SER17 4.5 12.1 1.0
O A:HOH505 4.5 30.6 1.0
NH2 A:ARG12 4.6 12.4 1.0
CA A:SER17 4.6 12.8 1.0
CB A:THR16 4.6 15.3 1.0
HB3 A:ASP260 4.6 15.7 1.0
CG A:ASN257 4.7 12.2 1.0
HD3 A:PRO18 4.7 13.7 1.0
HH21 A:ARG12 4.8 12.3 1.0
HB2 A:ASP260 4.8 17.2 1.0
HA A:ASP260 4.8 16.8 1.0
OG A:SER17 4.9 23.2 1.0
CB A:ASN257 5.0 12.1 1.0

Reference:

M.R.Sawaya, D.Cascio, M.Collazo, C.Bond, A.Cohen, A.Denicola, K.Eden, K.Jain, C.Leung, N.Lubock, J.Mccormick, J.Rosinski, L.Spiegelman, Y.Athar, N.Tibrewal, J.Winter, S.Solomon. Crystal Structure of Proteinase K From Engyodontium Album Inhibited By Methoxysuccinyl-Ala-Ala-Pro-Phe-Chloromethyl Ketone at 1.15 A Resolution To Be Published.
Page generated: Sun Jul 14 15:34:25 2024

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