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

Enzymatic activity of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S 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 1S 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 1S Time-Delay, Phased with 1HEW, PDB code: 5njp 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) 21.81 / 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 (%) 17 / 20.1

Other elements in 5njp:

The structure of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 1S 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 1S Time-Delay, Phased with 1HEW (pdb code 5njp). 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 1HEW, PDB code: 5njp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5njp

Go back to Chlorine Binding Sites List in 5njp
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 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 1S Time-Delay, Phased with 1HEW within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:36.7
occ:1.00
 HH A:TYR23 2.4 33.5 1.0
OH A:TYR23 3.0 28.0 1.0
HE2 A:TYR23 3.2 35.0 1.0
O A:HOH333 3.4 34.2 1.0
HA3 A:GLY104 3.4 34.0 1.0
CZ A:TYR23 3.7 27.8 1.0
CE2 A:TYR23 3.7 29.3 1.0
HA2 A:GLY104 4.0 34.0 1.0
CA A:GLY104 4.1 28.4 1.0
O A:ARG21 4.7 37.9 1.0
O A:HOH315 4.7 41.9 1.0
N A:GLY104 4.7 26.5 1.0
H A:MET105 4.8 30.4 1.0
H A:GLY104 4.9 31.7 1.0
CE1 A:TYR23 4.9 27.2 1.0
HB3 A:ARG21 4.9 47.5 1.0
CD2 A:TYR23 4.9 26.6 1.0

Chlorine binding site 2 out of 2 in 5njp

Go back to Chlorine Binding Sites List in 5njp
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 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 1S Time-Delay, Phased with 1HEW within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:51.8
occ:1.00
 H A:GLY26 2.2 31.4 1.0
HG A:SER24 2.7 45.2 1.0
HB2 A:SER24 2.8 40.1 1.0
HA A:GLN121 2.9 50.0 1.0
HA3 A:GLY26 2.9 34.4 1.0
OG A:SER24 3.0 37.8 1.0
N A:GLY26 3.0 26.3 1.0
HD11 A:ILE124 3.2 56.4 1.0
HD13 A:ILE124 3.4 56.4 1.0
CB A:SER24 3.4 33.5 1.0
CA A:GLY26 3.4 28.7 1.0
HG23 A:VAL120 3.6 45.5 1.0
CD1 A:ILE124 3.7 47.1 1.0
HB2 A:GLN121 3.7 71.8 1.0
CA A:GLN121 3.7 41.7 1.0
HG12 A:ILE124 3.9 45.7 1.0
HG2 A:GLN121 3.9 0.7 1.0
H A:LEU25 3.9 35.5 1.0
N A:LEU25 4.0 29.7 1.0
HA2 A:GLY26 4.0 34.4 1.0
HB3 A:SER24 4.1 40.1 1.0
CB A:GLN121 4.1 60.0 1.0
N A:GLN121 4.1 38.9 1.0
C A:SER24 4.1 33.2 1.0
HB3 A:LEU25 4.2 38.9 1.0
C A:LEU25 4.2 30.4 1.0
H A:ASN27 4.3 31.8 1.0
CG1 A:ILE124 4.4 38.2 1.0
CA A:SER24 4.4 32.2 1.0
O A:VAL120 4.4 35.8 1.0
CG A:GLN121 4.4 86.5 1.0
C A:VAL120 4.5 42.4 1.0
CG2 A:VAL120 4.5 38.0 1.0
H A:GLN121 4.5 46.5 1.0
HD12 A:ILE124 4.5 56.4 1.0
CA A:LEU25 4.5 29.5 1.0
C A:GLY26 4.6 28.5 1.0
O A:SER24 4.6 30.7 1.0
HG3 A:GLN121 4.7 0.7 1.0
HG21 A:VAL120 4.7 45.5 1.0
N A:ASN27 4.7 26.6 1.0
CB A:LEU25 4.8 32.5 1.0
HA A:SER24 4.9 38.5 1.0
C A:GLN121 4.9 38.5 1.0
HB A:VAL120 4.9 42.0 1.0
HG21 A:ILE124 4.9 38.8 1.0
HG13 A:ILE124 4.9 45.7 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: Sat Jul 12 06:07:35 2025

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