Chlorine in PDB 8pyp: 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography.

Enzymatic activity of 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography.

All present enzymatic activity of 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography.:
3.2.1.17;

Protein crystallography data

The structure of 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography., PDB code: 8pyp was solved by T.J.Mason, M.Carrillo, J.H.Beale, C.Padeste, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.05 / 1.40
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.2, 79.2, 38.2, 90, 90, 90
R / Rfree (%) 15.3 / 19.7

Other elements in 8pyp:

The structure of 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography. also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography. (pdb code 8pyp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography., PDB code: 8pyp:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8pyp

Go back to Chlorine Binding Sites List in 8pyp
Chlorine binding site 1 out of 3 in the 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:29.3
occ:1.00
 OH A:TYR23 3.0 21.1 1.0
O A:HOH345 3.4 32.5 1.0
CE2 A:TYR23 3.7 20.5 1.0
CZ A:TYR23 3.7 19.3 1.0
CA A:GLY104 4.1 20.1 1.0
O A:ARG21 4.6 27.0 1.0
N A:GLY104 4.6 20.6 1.0
O A:HOH309 4.8 34.5 1.0
CD2 A:TYR23 4.9 20.0 1.0
CE1 A:TYR23 4.9 19.7 1.0

Chlorine binding site 2 out of 3 in 8pyp

Go back to Chlorine Binding Sites List in 8pyp
Chlorine binding site 2 out of 3 in the 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:38.2
occ:1.00
 OG A:SER24 3.0 29.4 1.0
N A:GLY26 3.0 21.4 1.0
NE2 A:GLN121 3.0 43.1 0.3
CB A:SER24 3.4 26.1 1.0
CA A:GLY26 3.5 19.6 1.0
CD A:GLN121 3.7 42.1 0.3
CA A:GLN121 3.7 30.6 0.7
CA A:GLN121 3.7 30.7 0.3
N A:LEU25 3.9 22.5 1.0
CD1 A:ILE124 4.0 35.6 1.0
CB A:GLN121 4.1 36.2 0.7
OE1 A:GLN121 4.1 43.5 0.3
N A:GLN121 4.1 27.7 0.7
N A:GLN121 4.1 28.2 0.3
C A:SER24 4.1 22.0 1.0
C A:LEU25 4.2 21.2 1.0
CB A:GLN121 4.2 34.6 0.3
CG1 A:ILE124 4.3 33.6 1.0
O A:VAL120 4.3 26.4 1.0
CG A:GLN121 4.4 43.5 0.7
C A:VAL120 4.4 26.3 1.0
CA A:SER24 4.4 23.7 1.0
CG2 A:VAL120 4.4 28.8 1.0
CA A:LEU25 4.5 22.0 1.0
CD A:GLN121 4.5 48.8 0.7
CG A:GLN121 4.6 38.9 0.3
OE1 A:GLN121 4.6 51.3 0.7
O A:SER24 4.6 21.9 1.0
C A:GLY26 4.6 19.1 1.0
N A:ASN27 4.8 19.5 1.0
CB A:LEU25 4.8 23.5 1.0
C A:GLN121 4.9 29.8 0.7
C A:GLN121 4.9 30.0 0.3

Chlorine binding site 3 out of 3 in 8pyp

Go back to Chlorine Binding Sites List in 8pyp
Chlorine binding site 3 out of 3 in the 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 25 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:36.5
occ:1.00
 O A:HOH347 3.1 27.4 1.0
O A:THR69 3.3 26.4 1.0
N A:THR69 3.3 24.6 1.0
O A:HOH328 3.5 80.2 1.0
OD1 A:ASN65 3.6 35.5 1.0
N A:ARG68 3.6 23.4 0.6
N A:ARG68 3.6 24.9 0.4
C A:THR69 3.6 25.2 1.0
N A:GLY67 3.7 24.3 1.0
CA A:GLY67 3.7 24.9 1.0
C A:GLY67 3.7 26.0 1.0
OG A:SER72 3.9 27.5 1.0
CA A:THR69 3.9 24.0 1.0
O A:HOH362 4.0 31.4 1.0
C A:ARG68 4.3 25.1 0.6
OD1 A:ASP66 4.3 21.9 1.0
CB A:THR69 4.3 22.8 1.0
C A:ARG68 4.3 25.8 0.4
N A:PRO70 4.3 26.6 1.0
CA A:ARG68 4.4 23.7 0.6
CA A:ARG68 4.4 25.6 0.4
O A:GLY67 4.5 30.8 1.0
CA A:PRO70 4.7 29.9 1.0
CG A:ASN65 4.8 31.2 1.0
NA A:NA204 4.8 23.8 1.0
N A:ASP66 4.8 21.3 1.0
C A:ASP66 4.8 23.7 1.0
OG1 A:THR69 5.0 22.8 1.0

Reference:

M.Carrillo, T.J.Mason, A.Karpik, I.Martiel, M.W.Kepa, K.E.Mcauley, J.H.Beale, C.Padeste. Micro-Structured Polymer Fixed-Targets For Serial Crystallography at Synchrotrons and Xfels To Be Published.
Page generated: Tue Jul 30 11:42:16 2024

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