Chlorine in PDB 6sr1: X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay

Enzymatic activity of X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay

All present enzymatic activity of X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay:
3.2.1.17;

Protein crystallography data

The structure of X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay, PDB code: 6sr1 was solved by M.Kloos, A.Gorel, K.Nass, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.81 / 2.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.000, 79.000, 39.500, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 24.5

Other elements in 6sr1:

The structure of X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay also contains other interesting chemical elements:

Gadolinium (Gd) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay (pdb code 6sr1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay, PDB code: 6sr1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6sr1

Go back to Chlorine Binding Sites List in 6sr1
Chlorine binding site 1 out of 3 in the X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:20.5
occ:1.00
OH A:TYR23 2.9 16.5 1.0
CE2 A:TYR23 3.6 16.3 1.0
CZ A:TYR23 3.6 16.9 1.0
CA A:GLY104 4.3 20.6 1.0
O A:HOH321 4.6 32.4 1.0
O A:ARG21 4.7 21.5 1.0
CD2 A:TYR23 4.8 15.9 1.0
CE1 A:TYR23 4.8 17.1 1.0
N A:GLY104 4.9 22.3 1.0

Chlorine binding site 2 out of 3 in 6sr1

Go back to Chlorine Binding Sites List in 6sr1
Chlorine binding site 2 out of 3 in the X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:32.4
occ:1.00
N A:GLY26 3.1 16.6 1.0
OG A:SER24 3.2 15.8 1.0
CA A:GLY26 3.4 16.1 1.0
CA A:GLN121 3.5 18.9 1.0
CB A:SER24 3.6 15.4 1.0
N A:GLN121 3.8 17.9 1.0
CD1 A:ILE124 3.9 25.0 1.0
CB A:GLN121 4.0 19.7 1.0
N A:LEU25 4.2 16.9 1.0
CG A:GLN121 4.2 22.8 1.0
C A:VAL120 4.3 17.0 1.0
C A:LEU25 4.3 17.5 1.0
CG1 A:ILE124 4.4 24.3 1.0
O A:VAL120 4.4 18.4 1.0
C A:SER24 4.4 16.0 1.0
CG2 A:VAL120 4.4 16.5 1.0
C A:GLY26 4.6 15.9 1.0
CA A:SER24 4.6 14.7 1.0
CA A:LEU25 4.7 17.6 1.0
C A:GLN121 4.8 18.1 1.0
N A:ASN27 4.8 15.5 1.0
O A:SER24 4.9 16.4 1.0

Chlorine binding site 3 out of 3 in 6sr1

Go back to Chlorine Binding Sites List in 6sr1
Chlorine binding site 3 out of 3 in the X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Pump X-Ray Probe on Lysozyme.Gd Nanocrystals: 35 Fs Time Delay within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:46.3
occ:1.00
N A:THR69 2.9 21.7 1.0
O A:HOH318 2.9 32.0 1.0
O A:THR69 3.0 22.3 1.0
N A:ARG68 3.2 21.4 1.0
C A:THR69 3.4 26.4 1.0
C A:GLY67 3.5 20.9 1.0
CA A:THR69 3.6 22.8 1.0
CA A:GLY67 3.6 19.1 1.0
N A:GLY67 3.7 18.6 1.0
ND2 A:ASN65 3.8 21.2 1.0
OG A:SER72 3.9 31.2 1.0
C A:ARG68 3.9 22.4 1.0
CA A:ARG68 4.0 22.4 1.0
CB A:THR69 4.1 23.0 1.0
OD1 A:ASP66 4.1 14.6 1.0
N A:PRO70 4.2 30.1 1.0
O A:GLY67 4.3 20.5 1.0
O A:HOH320 4.4 23.0 1.0
OG1 A:THR69 4.6 20.0 1.0
CA A:PRO70 4.7 32.9 1.0
C A:ASP66 4.8 18.4 1.0
N A:ASP66 4.9 17.0 1.0

Reference:

K.Nass, A.Gorel, M.M.Abdullah, A.V Martin, M.Kloos, A.Marinelli, A.Aquila, T.R.M.Barends, F.J.Decker, R.Bruce Doak, L.Foucar, E.Hartmann, M.Hilpert, M.S.Hunter, Z.Jurek, J.E.Koglin, A.Kozlov, A.A.Lutman, G.N.Kovacs, C.M.Roome, R.L.Shoeman, R.Santra, H.M.Quiney, B.Ziaja, S.Boutet, I.Schlichting. Structural Dynamics in Proteins Induced By and Probed with X-Ray Free-Electron Laser Pulses. Nat Commun V. 11 1814 2020.
ISSN: ESSN 2041-1723
PubMed: 32286284
DOI: 10.1038/S41467-020-15610-4
Page generated: Sat Dec 12 13:40:54 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy