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Calcium in PDB 9fty: Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses

Enzymatic activity of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses

All present enzymatic activity of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses:
3.4.21.64;

Protein crystallography data

The structure of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses, PDB code: 9fty was solved by J.Orlans, S.L.Rose, S.Basu, D.De Sanctis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 58.13 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.72, 68.72, 108.97, 90, 90, 90
R / Rfree (%) 24 / 26.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses (pdb code 9fty). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses, PDB code: 9fty:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 9fty

Go back to Calcium Binding Sites List in 9fty
Calcium binding site 1 out of 2 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca501

b:12.0
occ:1.00
 O A:VAL177 2.4 12.5 1.0
O A:PRO175 2.4 13.7 1.0
OD2 A:ASP200 2.5 11.7 1.0
O A:HOH727 2.6 20.7 1.0
O A:HOH618 2.6 13.3 1.0
OD1 A:ASP200 2.6 14.4 1.0
O A:HOH713 2.7 16.1 1.0
O A:HOH646 2.7 15.6 1.0
CG A:ASP200 2.9 13.5 1.0
C A:PRO175 3.5 12.5 1.0
C A:VAL177 3.6 14.8 1.0
CA A:PRO175 4.1 12.5 1.0
N A:VAL177 4.2 13.0 1.0
CB A:ASP200 4.4 11.6 1.0
O A:VAL198 4.4 15.6 1.0
O A:HOH751 4.4 21.1 1.0
O A:GLU174 4.4 11.4 1.0
C A:SER176 4.5 11.0 1.0
N A:SER176 4.5 11.6 1.0
CA A:CYS178 4.5 12.1 1.0
N A:CYS178 4.5 11.8 1.0
O A:HOH613 4.6 19.6 1.0
CA A:VAL177 4.6 13.8 1.0
O A:HOH745 4.6 24.9 1.0
N A:THR179 4.7 12.5 1.0
CA A:SER176 4.7 10.5 1.0
O A:HOH704 4.8 22.0 1.0
O A:HOH682 4.9 15.9 1.0
OG1 A:THR179 4.9 13.5 1.0
O A:HOH766 4.9 23.7 1.0
SG A:CYS249 5.0 10.6 1.0
O A:SER176 5.0 11.2 1.0

Calcium binding site 2 out of 2 in 9fty

Go back to Calcium Binding Sites List in 9fty
Calcium binding site 2 out of 2 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Small Foils): Proteinase K with 20 Um Spacing Between X-Ray Pulses within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:23.0
occ:1.00
 OD2 A:ASP260 2.3 22.7 1.0
O A:HOH657 2.3 22.9 1.0
O A:HOH735 2.4 20.7 1.0
O A:THR16 2.4 16.0 1.0
O A:HOH707 2.6 24.1 1.0
OD1 A:ASP260 2.6 25.3 1.0
CG A:ASP260 2.8 24.2 1.0
C A:THR16 3.7 16.9 1.0
CB A:ASP260 4.2 20.6 1.0
N A:SER17 4.5 18.3 1.0
CA A:THR16 4.6 18.5 1.0
CA A:SER17 4.6 18.7 1.0
O A:HOH664 4.6 26.6 1.0
CB A:THR16 4.7 16.4 1.0
O A:HOH616 4.8 10.3 1.0
OD1 A:ASN257 4.8 17.5 1.0
NH2 A:ARG12 4.8 15.5 1.0
CG A:ASN257 5.0 18.8 1.0

Reference:

J.Orlans, S.L.Rose, G.Ferguson, M.Oscarsson, A.Homs Puron, A.Beteva, S.Debionne, P.Theveneau, N.Coquelle, J.Kieffer, P.Busca, J.Sinoir, V.Armijo, M.Lopez Marrero, F.Felisaz, G.Papp, H.Gonzalez, H.Caserotto, F.Dobias, J.Gigmes, G.Lebon, S.Basu, D.De Sanctis. Advancing Macromolecular Structure Determination with Microsecond X-Ray Pulses at A 4TH Generation Synchrotron. Commun Chem V. 8 6 2025.
ISSN: ESSN 2399-3669
PubMed: 39775172
DOI: 10.1038/S42004-024-01404-Y
Page generated: Sat Feb 8 16:25:45 2025

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