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Chlorine in PDB 5njs: Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 1HEW

Enzymatic activity of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 1HEW

All present enzymatic activity of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 1HEW:
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 50S Time-Delay, Phased with 1HEW, PDB code: 5njs 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 (%) 16.4 / 19.9

Other elements in 5njs:

The structure of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 1HEW 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 50S Time-Delay, Phased with 1HEW (pdb code 5njs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 1HEW, PDB code: 5njs:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5njs

Go back to Chlorine Binding Sites List in 5njs
Chlorine binding site 1 out of 3 in the Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 1HEW


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 50S Time-Delay, Phased with 1HEW within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:0.4
occ:1.00
HB2 A:ALA110 2.8 32.6 1.0
O A:HOH308 3.2 41.1 1.0
HA A:ALA110 3.4 31.7 1.0
HG12 A:VAL109 3.4 44.3 1.0
HB A:VAL109 3.5 39.5 1.0
H A:ALA110 3.6 32.2 1.0
CB A:ALA110 3.6 27.1 1.0
N A:ALA110 3.6 26.8 1.0
CA A:ALA110 3.7 26.4 1.0
HG11 A:VAL109 4.0 44.3 1.0
CG1 A:VAL109 4.0 36.9 1.0
HB1 A:ALA110 4.1 32.6 1.0
CB A:VAL109 4.2 32.9 1.0
C A:VAL109 4.2 26.6 1.0
HB3 A:ALA110 4.2 32.6 1.0
HD22 A:ASN113 4.5 41.6 1.0
O A:VAL109 4.8 26.6 1.0
CA A:VAL109 4.8 27.4 1.0
HG13 A:VAL109 4.9 44.3 1.0
OE2 A:GLU35 4.9 29.2 1.0

Chlorine binding site 2 out of 3 in 5njs

Go back to Chlorine Binding Sites List in 5njs
Chlorine binding site 2 out of 3 in the Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 1HEW


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 50S Time-Delay, Phased with 1HEW within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:47.9
occ:1.00
H A:GLY26 2.3 29.7 1.0
HG A:SER24 2.7 39.5 1.0
HB2 A:SER24 2.7 38.0 1.0
HA A:GLN121 2.8 43.3 1.0
HA3 A:GLY26 3.0 33.4 1.0
OG A:SER24 3.0 32.9 1.0
N A:GLY26 3.1 24.7 1.0
CB A:SER24 3.4 31.7 1.0
HD11 A:ILE124 3.4 62.2 1.0
HD13 A:ILE124 3.5 62.2 1.0
HG23 A:VAL120 3.5 45.1 1.0
CA A:GLY26 3.6 27.8 1.0
HB2 A:GLN121 3.6 55.0 1.0
CA A:GLN121 3.7 36.2 1.0
HG2 A:GLN121 3.7 93.1 1.0
H A:LEU25 3.8 30.3 1.0
CD1 A:ILE124 3.9 51.9 1.0
N A:LEU25 4.0 25.2 1.0
HG12 A:ILE124 4.0 46.7 1.0
HB3 A:SER24 4.0 38.0 1.0
CB A:GLN121 4.0 45.8 1.0
N A:GLN121 4.1 34.8 1.0
C A:SER24 4.2 25.4 1.0
HA2 A:GLY26 4.2 33.4 1.0
HB3 A:LEU25 4.2 32.8 1.0
C A:LEU25 4.3 29.6 1.0
CG A:GLN121 4.3 77.6 1.0
H A:ASN27 4.3 26.2 1.0
CA A:SER24 4.4 26.4 1.0
H A:GLN121 4.4 41.6 1.0
CG2 A:VAL120 4.5 37.5 1.0
O A:VAL120 4.5 31.6 1.0
C A:VAL120 4.5 36.8 1.0
CG1 A:ILE124 4.5 38.9 1.0
HG3 A:GLN121 4.6 93.1 1.0
CA A:LEU25 4.6 23.9 1.0
HG21 A:VAL120 4.7 45.1 1.0
C A:GLY26 4.7 27.7 1.0
O A:SER24 4.7 28.3 1.0
HD12 A:ILE124 4.7 62.2 1.0
N A:ASN27 4.8 22.0 1.0
HA A:SER24 4.9 31.6 1.0
CB A:LEU25 4.9 27.3 1.0
C A:GLN121 4.9 36.1 1.0
HB3 A:GLN121 4.9 55.0 1.0
HG21 A:ILE124 5.0 41.0 1.0
HB A:VAL120 5.0 35.8 1.0

Chlorine binding site 3 out of 3 in 5njs

Go back to Chlorine Binding Sites List in 5njs
Chlorine binding site 3 out of 3 in the Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 1HEW


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 1HEW within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:69.0
occ:1.00
HH A:TYR23 2.3 31.4 1.0
OH A:TYR23 2.9 26.1 1.0
HE2 A:TYR23 3.2 30.2 1.0
HA3 A:GLY104 3.3 28.9 1.0
O A:HOH329 3.5 30.9 1.0
CZ A:TYR23 3.7 26.5 1.0
CE2 A:TYR23 3.7 25.1 1.0
HA2 A:GLY104 3.9 28.9 1.0
CA A:GLY104 4.0 24.0 1.0
N A:GLY104 4.6 23.9 1.0
H A:MET105 4.7 29.8 1.0
O A:ARG21 4.8 36.2 1.0
H A:GLY104 4.8 28.7 1.0
O A:HOH318 4.8 36.9 1.0
CE1 A:TYR23 4.9 24.8 1.0
CD2 A:TYR23 4.9 24.5 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 13:35:49 2024

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