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Chlorine in PDB 8pyo: 5 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography.

Enzymatic activity of 5 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography.

All present enzymatic activity of 5 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography.:
3.2.1.17;

Protein crystallography data

The structure of 5 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography., PDB code: 8pyo 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 / 1.54
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 (%) 17.1 / 20.2

Other elements in 8pyo:

The structure of 5 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 5 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography. (pdb code 8pyo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 5 Micrometer Hewl Crystals Solved at Room-Temperature Using Fixed- Target Serial Crystallography., PDB code: 8pyo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8pyo

Go back to Chlorine Binding Sites List in 8pyo
Chlorine binding site 1 out of 3 in the 5 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 5 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:26.8
occ:1.00
 OH A:TYR23 3.0 18.7 1.0
O A:HOH398 3.0 55.5 1.0
O A:HOH355 3.1 47.1 1.0
O A:HOH359 3.3 28.4 1.0
CE2 A:TYR23 3.7 16.0 1.0
CZ A:TYR23 3.7 16.6 1.0
CA A:GLY104 4.1 16.5 1.0
O A:ARG21 4.7 25.6 1.0
O A:HOH309 4.7 29.7 1.0
N A:GLY104 4.7 17.4 1.0
CE1 A:TYR23 4.9 15.9 1.0
CD2 A:TYR23 4.9 14.8 1.0

Chlorine binding site 2 out of 3 in 8pyo

Go back to Chlorine Binding Sites List in 8pyo
Chlorine binding site 2 out of 3 in the 5 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 5 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:35.7
occ:1.00
 OG A:SER24 3.0 30.0 1.0
N A:GLY26 3.0 17.1 1.0
CB A:SER24 3.4 23.0 1.0
CA A:GLY26 3.5 15.8 1.0
CG A:GLN121 3.6 37.6 0.4
CA A:GLN121 3.7 27.9 0.6
CA A:GLN121 3.7 28.0 0.4
CD1 A:ILE124 3.8 34.0 1.0
N A:LEU25 3.9 19.0 1.0
N A:GLN121 4.1 24.5 0.6
N A:GLN121 4.1 24.6 0.4
CB A:GLN121 4.1 31.7 0.6
C A:SER24 4.2 24.3 1.0
CB A:GLN121 4.2 31.7 0.4
C A:LEU25 4.2 17.4 1.0
O A:VAL120 4.3 24.7 1.0
CG1 A:ILE124 4.4 26.8 1.0
CG2 A:VAL120 4.4 28.0 1.0
C A:VAL120 4.4 27.1 1.0
CG A:GLN121 4.4 36.4 0.6
CA A:SER24 4.4 18.9 1.0
CD A:GLN121 4.5 45.5 0.6
CA A:LEU25 4.5 19.3 1.0
OE1 A:GLN121 4.6 48.3 0.6
C A:GLY26 4.6 16.5 1.0
O A:SER24 4.7 20.8 1.0
N A:ASN27 4.7 14.5 1.0
CB A:LEU25 4.8 24.6 1.0
CD A:GLN121 4.9 46.4 0.4
C A:GLN121 4.9 28.8 0.4
C A:GLN121 4.9 28.8 0.6
NE2 A:GLN121 5.0 45.4 0.4

Chlorine binding site 3 out of 3 in 8pyo

Go back to Chlorine Binding Sites List in 8pyo
Chlorine binding site 3 out of 3 in the 5 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 5 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:35.9
occ:1.00
 O A:HOH340 3.0 25.3 1.0
N A:THR69 3.3 20.7 1.0
O A:THR69 3.4 25.7 1.0
N A:ARG68 3.5 21.3 0.6
N A:ARG68 3.5 21.3 0.4
OD1 A:ASN65 3.6 28.6 1.0
CA A:GLY67 3.6 25.1 1.0
N A:GLY67 3.6 20.6 1.0
C A:GLY67 3.6 28.7 1.0
C A:THR69 3.7 22.9 1.0
OG A:SER72 3.9 25.9 1.0
CA A:THR69 4.0 19.7 1.0
O A:HOH384 4.1 28.2 1.0
OD1 A:ASP66 4.3 18.9 1.0
C A:ARG68 4.3 20.0 0.4
C A:ARG68 4.3 19.9 0.6
CA A:ARG68 4.4 19.2 0.6
CB A:THR69 4.4 20.4 1.0
CA A:ARG68 4.4 19.3 0.4
O A:GLY67 4.4 30.0 1.0
N A:PRO70 4.4 23.2 1.0
C A:ASP66 4.7 22.9 1.0
N A:ASP66 4.8 17.7 1.0
CA A:PRO70 4.8 23.8 1.0
CG A:ASN65 4.8 30.6 1.0
NA A:NA204 4.9 20.1 1.0
OG1 A:THR69 4.9 21.2 1.0
O A:HOH323 4.9 46.9 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: Thu Dec 28 03:24:17 2023

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