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Calcium in PDB 9fu1: Serial Microseconds Crystallography at ID29 Using Fixed-Target (Large Foils): Proteinase K with 50 Um Spacing Between X-Ray Pulses

Enzymatic activity of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Large Foils): Proteinase K with 50 Um Spacing Between X-Ray Pulses

All present enzymatic activity of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Large Foils): Proteinase K with 50 Um Spacing Between X-Ray Pulses:
3.4.21.64;

Protein crystallography data

The structure of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Large Foils): Proteinase K with 50 Um Spacing Between X-Ray Pulses, PDB code: 9fu1 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) 58.10 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.69, 68.69, 108.93, 90, 90, 90
R / Rfree (%) 18.2 / 22.4

Calcium Binding Sites:

The binding sites of Calcium atom in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Large Foils): Proteinase K with 50 Um Spacing Between X-Ray Pulses (pdb code 9fu1). 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 (Large Foils): Proteinase K with 50 Um Spacing Between X-Ray Pulses, PDB code: 9fu1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 9fu1

Go back to Calcium Binding Sites List in 9fu1
Calcium binding site 1 out of 2 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Large Foils): Proteinase K with 50 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 (Large Foils): Proteinase K with 50 Um Spacing Between X-Ray Pulses within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca501

b:17.2
occ:1.00
 O A:HOH679 2.3 18.5 1.0
O A:PRO175 2.4 15.3 1.0
OD2 A:ASP200 2.4 16.8 1.0
O A:VAL177 2.4 19.0 1.0
O A:HOH613 2.5 19.1 1.0
O A:HOH655 2.5 18.5 1.0
OD1 A:ASP200 2.7 22.1 1.0
O A:HOH737 2.7 20.2 1.0
CG A:ASP200 2.9 22.5 1.0
C A:PRO175 3.5 19.6 1.0
C A:VAL177 3.7 17.8 1.0
CA A:PRO175 4.2 14.7 1.0
N A:VAL177 4.2 18.3 1.0
O A:VAL198 4.3 21.4 1.0
CB A:ASP200 4.4 16.1 1.0
O A:HOH754 4.4 32.8 1.0
C A:SER176 4.5 15.9 1.0
N A:SER176 4.5 14.6 1.0
CA A:CYS178 4.5 18.7 1.0
N A:CYS178 4.5 17.6 1.0
O A:GLU174 4.5 20.2 1.0
CA A:VAL177 4.6 17.0 1.0
N A:THR179 4.7 17.6 1.0
CA A:SER176 4.7 19.1 1.0
O A:HOH762 4.9 43.8 1.0
O A:HOH631 4.9 27.6 1.0
OG1 A:THR179 4.9 14.3 1.0
O A:HOH768 4.9 39.4 1.0
O A:SER176 5.0 19.7 1.0
SG A:CYS249 5.0 16.3 1.0

Calcium binding site 2 out of 2 in 9fu1

Go back to Calcium Binding Sites List in 9fu1
Calcium binding site 2 out of 2 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Large Foils): Proteinase K with 50 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 (Large Foils): Proteinase K with 50 Um Spacing Between X-Ray Pulses within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:30.4
occ:1.00
 O A:HOH695 2.3 33.8 1.0
O A:HOH623 2.4 29.4 1.0
O A:THR16 2.4 24.9 1.0
OD2 A:ASP260 2.4 31.8 1.0
O A:HOH735 2.5 29.4 1.0
OD1 A:ASP260 2.6 23.5 1.0
O A:HOH722 2.7 38.2 1.0
CG A:ASP260 2.8 29.4 1.0
C A:THR16 3.6 26.8 1.0
O A:HOH630 4.2 36.8 1.0
CB A:ASP260 4.3 30.4 1.0
CB A:THR16 4.4 24.7 1.0
CA A:THR16 4.5 26.7 1.0
OD1 A:ASN257 4.5 23.0 1.0
N A:SER17 4.5 24.5 1.0
CA A:SER17 4.6 21.8 1.0
CG A:ASN257 4.8 27.7 1.0
NH2 A:ARG12 4.9 16.9 1.0
OG1 A:THR16 5.0 31.5 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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