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Chlorine in PDB 5njr: Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S Time-Delay, Phased with 4ET8

Enzymatic activity of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S 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 50S 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 50S Time-Delay, Phased with 4ET8, PDB code: 5njr 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 (%) 16.6 / 19.8

Other elements in 5njr:

The structure of Mix-and-Diffuse Serial Synchrotron Crystallography: Structure of N,N', N''-Triacetylchitotriose Bound to Lysozyme with 50S 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 50S Time-Delay, Phased with 4ET8 (pdb code 5njr). 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 4ET8, PDB code: 5njr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5njr

Go back to Chlorine Binding Sites List in 5njr
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 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 50S Time-Delay, Phased with 4ET8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:32.7
occ:1.00
 HH A:TYR23 2.4 30.9 1.0
OH A:TYR23 3.0 25.7 1.0
HE2 A:TYR23 3.2 29.2 1.0
HA3 A:GLY104 3.3 30.8 1.0
O A:HOH334 3.4 30.8 1.0
CZ A:TYR23 3.7 23.3 1.0
CE2 A:TYR23 3.7 24.3 1.0
HA2 A:GLY104 4.0 30.8 1.0
CA A:GLY104 4.1 25.6 1.0
HH11 A:ARG21 4.6 55.5 0.5
N A:GLY104 4.7 24.8 1.0
O A:ARG21 4.7 33.1 0.5
O A:ARG21 4.7 33.1 0.5
H A:MET105 4.8 27.7 1.0
O A:HOH310 4.8 35.8 1.0
H A:GLY104 4.8 29.8 1.0
CE1 A:TYR23 4.9 23.4 1.0
HD3 A:ARG21 5.0 51.6 0.5
HB3 A:ARG21 5.0 41.8 0.5
CD2 A:TYR23 5.0 24.5 1.0
HD2 A:ARG21 5.0 51.6 0.5

Chlorine binding site 2 out of 3 in 5njr

Go back to Chlorine Binding Sites List in 5njr
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 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 50S Time-Delay, Phased with 4ET8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:44.6
occ:1.00
 H A:GLY26 2.3 28.3 1.0
HG A:SER24 2.6 35.9 1.0
HA A:GLN121 2.8 45.5 1.0
HB2 A:SER24 2.9 37.0 1.0
HA3 A:GLY26 3.0 33.0 1.0
OG A:SER24 3.0 29.9 1.0
N A:GLY26 3.1 23.5 1.0
HD11 A:ILE124 3.3 57.0 1.0
HD13 A:ILE124 3.4 57.0 1.0
CB A:SER24 3.4 30.8 1.0
HG23 A:VAL120 3.5 41.1 1.0
CA A:GLY26 3.5 27.5 1.0
CA A:GLN121 3.7 37.9 1.0
HG2 A:GLN121 3.7 84.3 1.0
CD1 A:ILE124 3.8 47.5 1.0
HB2 A:GLN121 3.8 57.8 1.0
H A:LEU25 3.8 33.5 1.0
N A:LEU25 3.9 27.9 1.0
HG12 A:ILE124 3.9 42.4 1.0
N A:GLN121 4.1 34.7 1.0
HB3 A:SER24 4.1 37.0 1.0
CB A:GLN121 4.1 48.1 1.0
HA2 A:GLY26 4.1 33.0 1.0
C A:SER24 4.2 30.1 1.0
HB3 A:LEU25 4.2 34.3 1.0
C A:LEU25 4.2 27.2 1.0
H A:ASN27 4.3 26.8 1.0
O A:VAL120 4.3 30.9 1.0
CG A:GLN121 4.3 70.2 1.0
C A:VAL120 4.4 36.4 1.0
H A:GLN121 4.4 41.7 1.0
CG2 A:VAL120 4.4 34.2 1.0
CA A:SER24 4.4 29.3 1.0
CG1 A:ILE124 4.4 35.3 1.0
CA A:LEU25 4.5 26.1 1.0
HD12 A:ILE124 4.6 57.0 1.0
C A:GLY26 4.6 25.6 1.0
HG3 A:GLN121 4.6 84.3 1.0
HG21 A:VAL120 4.6 41.1 1.0
O A:SER24 4.7 27.9 1.0
N A:ASN27 4.7 22.3 1.0
CB A:LEU25 4.8 28.5 1.0
C A:GLN121 4.9 35.8 1.0
HB A:VAL120 4.9 35.3 1.0
HA A:SER24 4.9 35.2 1.0
HG21 A:ILE124 4.9 38.0 1.0
HG22 A:VAL120 5.0 41.1 1.0
HG23 A:ILE124 5.0 38.0 1.0

Chlorine binding site 3 out of 3 in 5njr

Go back to Chlorine Binding Sites List in 5njr
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 4ET8


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 4ET8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:61.3
occ:1.00
 H A:ILE88 2.5 41.6 1.0
HG12 A:ILE88 2.7 42.1 1.0
HA A:ASP87 2.9 45.2 1.0
N A:ILE88 3.3 34.6 1.0
HE1 A:HIS15 3.3 49.0 1.0
OD1 A:ASP87 3.6 37.7 1.0
HG23 A:ILE88 3.7 37.8 1.0
CG1 A:ILE88 3.7 35.0 1.0
HZ A:PHE3 3.7 42.1 1.0
CA A:ASP87 3.8 37.7 1.0
HB1 A:ALA11 3.8 35.7 1.0
HG13 A:ILE88 4.0 42.1 1.0
C A:ASP87 4.0 34.1 1.0
O A:SER86 4.1 37.8 1.0
CE1 A:HIS15 4.1 40.8 1.0
CB A:ILE88 4.3 32.7 1.0
CA A:ILE88 4.3 31.6 1.0
CG A:ASP87 4.3 38.9 1.0
HH21 A:ARG14 4.4 67.9 1.0
CG2 A:ILE88 4.4 31.5 1.0
H A:THR89 4.4 37.2 1.0
HG1 A:THR89 4.5 41.8 1.0
CB A:ASP87 4.5 34.8 1.0
HD11 A:ILE88 4.6 41.4 1.0
HB2 A:ALA11 4.6 35.7 1.0
CD1 A:ILE88 4.6 34.5 1.0
CZ A:PHE3 4.6 35.1 1.0
CB A:ALA11 4.6 29.7 1.0
HD13 A:ILE88 4.6 41.4 1.0
HB2 A:ASP87 4.6 41.8 1.0
HG21 A:ILE88 4.8 37.8 1.0
HE2 A:PHE3 4.8 41.2 1.0
N A:ASP87 4.8 34.5 1.0
HD1 A:HIS15 4.8 47.8 1.0
C A:SER86 4.9 34.1 1.0
N A:THR89 4.9 31.0 1.0
ND1 A:HIS15 4.9 39.8 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 13:35:46 2024

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