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Chlorine in PDB 5njq: Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8

Enzymatic activity of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8

All present enzymatic activity of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8:
3.2.1.17;

Protein crystallography data

The structure of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8, PDB code: 5njq was solved by D.Oberthuer, A.Meents, K.R.Beyerlein, H.N.Chapman, J.Lieseke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.68 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.610, 79.610, 38.300, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 20

Other elements in 5njq:

The structure of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8 (pdb code 5njq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8, PDB code: 5njq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5njq

Go back to Chlorine Binding Sites List in 5njq
Chlorine binding site 1 out of 2 in the Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:35.5
occ:1.00
 HH A:TYR23 2.4 32.2 1.0
OH A:TYR23 3.0 26.8 1.0
HE2 A:TYR23 3.2 33.0 1.0
HA3 A:GLY104 3.4 32.5 1.0
O A:HOH338 3.4 32.5 1.0
CZ A:TYR23 3.7 25.1 1.0
CE2 A:TYR23 3.7 27.5 1.0
HA2 A:GLY104 4.1 32.5 1.0
CA A:GLY104 4.1 27.1 1.0
N A:GLY104 4.7 25.4 1.0
O A:ARG21 4.7 36.0 1.0
H A:MET105 4.8 28.7 1.0
O A:HOH310 4.8 39.4 1.0
H A:GLY104 4.9 30.4 1.0
HB3 A:ARG21 4.9 44.8 1.0
CE1 A:TYR23 4.9 26.4 1.0
CD2 A:TYR23 5.0 25.0 1.0

Chlorine binding site 2 out of 2 in 5njq

Go back to Chlorine Binding Sites List in 5njq
Chlorine binding site 2 out of 2 in the Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S Time-Delay, Phased with 4ET8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:49.3
occ:1.00
 H A:GLY26 2.3 29.9 1.0
HG A:SER24 2.7 46.2 1.0
HB2 A:SER24 2.8 41.0 1.0
HA A:GLN121 2.9 46.7 1.0
HA3 A:GLY26 2.9 31.9 1.0
OG A:SER24 3.0 38.5 1.0
N A:GLY26 3.1 24.9 1.0
HD11 A:ILE124 3.2 61.2 1.0
HD13 A:ILE124 3.4 61.2 1.0
CB A:SER24 3.4 34.1 1.0
HG23 A:VAL120 3.5 44.1 1.0
CA A:GLY26 3.5 26.6 1.0
HB2 A:GLN121 3.7 68.7 1.0
CD1 A:ILE124 3.7 51.0 1.0
CA A:GLN121 3.7 38.9 1.0
HG12 A:ILE124 3.8 43.9 1.0
HG2 A:GLN121 3.9 85.3 1.0
H A:LEU25 4.0 35.4 1.0
N A:LEU25 4.0 29.5 1.0
N A:GLN121 4.0 36.4 1.0
HA2 A:GLY26 4.1 31.9 1.0
HB3 A:SER24 4.1 41.0 1.0
CB A:GLN121 4.1 57.2 1.0
HB3 A:LEU25 4.2 35.4 1.0
C A:SER24 4.2 31.7 1.0
C A:LEU25 4.2 29.3 1.0
H A:ASN27 4.3 29.3 1.0
CG1 A:ILE124 4.3 36.5 1.0
H A:GLN121 4.4 43.6 1.0
CG2 A:VAL120 4.4 36.8 1.0
C A:VAL120 4.4 41.8 1.0
CG A:GLN121 4.4 71.1 1.0
O A:VAL120 4.4 34.0 1.0
CA A:SER24 4.4 30.3 1.0
HD12 A:ILE124 4.5 61.2 1.0
HG21 A:VAL120 4.6 44.1 1.0
CA A:LEU25 4.6 29.4 1.0
C A:GLY26 4.6 26.6 1.0
O A:SER24 4.6 28.9 1.0
HG3 A:GLN121 4.6 85.3 1.0
N A:ASN27 4.8 24.4 1.0
HB A:VAL120 4.9 40.2 1.0
CB A:LEU25 4.9 29.5 1.0
HG13 A:ILE124 4.9 43.9 1.0
C A:GLN121 4.9 38.6 1.0
HA A:SER24 4.9 36.3 1.0
HG21 A:ILE124 4.9 37.7 1.0
HG22 A:VAL120 4.9 44.1 1.0

Reference:

K.R.Beyerlein, D.Dierksmeyer, V.Mariani, M.Kuhn, I.Sarrou, A.Ottaviano, S.Awel, J.Knoska, S.Fuglerud, O.Jonsson, S.Stern, M.O.Wiedorn, O.Yefanov, L.Adriano, R.Bean, A.Burkhardt, P.Fischer, M.Heymann, D.A.Horke, K.E.J.Jungnickel, E.Kovaleva, O.Lorbeer, M.Metz, J.Meyer, A.Morgan, K.Pande, S.Panneerselvam, C.Seuring, A.Tolstikova, J.Lieske, S.Aplin, M.Roessle, T.A.White, H.N.Chapman, A.Meents, D.Oberthuer. Mix-and-Diffuse Serial Synchrotron Crystallography. Iucrj V. 4 769 2017.
ISSN: ESSN 2052-2525
PubMed: 29123679
DOI: 10.1107/S2052252517013124
Page generated: Fri Jul 26 13:35:38 2024

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