Chlorine in PDB 8e1w: Neutron Crystal Structure of Panus Similis AA9A at Room Temperature

Enzymatic activity of Neutron Crystal Structure of Panus Similis AA9A at Room Temperature

All present enzymatic activity of Neutron Crystal Structure of Panus Similis AA9A at Room Temperature:
3.2.1.4;

Protein crystallography data

The structure of Neutron Crystal Structure of Panus Similis AA9A at Room Temperature, PDB code: 8e1w was solved by F.Meilleur, T.Tandrup, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.10
Space group P 41 3 2
Cell size a, b, c (Å), α, β, γ (°) 126.469, 126.469, 126.469, 90, 90, 90
R / Rfree (%) 22.5 / 26

Other elements in 8e1w:

The structure of Neutron Crystal Structure of Panus Similis AA9A at Room Temperature also contains other interesting chemical elements:

Copper (Cu) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Neutron Crystal Structure of Panus Similis AA9A at Room Temperature (pdb code 8e1w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Neutron Crystal Structure of Panus Similis AA9A at Room Temperature, PDB code: 8e1w:

Chlorine binding site 1 out of 1 in 8e1w

Go back to Chlorine Binding Sites List in 8e1w
Chlorine binding site 1 out of 1 in the Neutron Crystal Structure of Panus Similis AA9A at Room Temperature


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Neutron Crystal Structure of Panus Similis AA9A at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:33.0
occ:0.25
HD2 A:HIS78 0.8 28.7 0.8
CD2 A:HIS78 0.8 35.7 0.8
NE2 A:HIS78 1.4 24.5 0.8
D A:HIC1 2.1 29.7 1.0
CG A:HIS78 2.1 32.5 0.8
CU A:CU301 2.5 35.3 1.0
CE1 A:HIS78 2.6 29.0 0.8
N A:HIC1 2.7 29.9 1.0
D2 A:HIC1 2.7 30.1 1.0
H2 A:HIC1 2.7 31.9 0.0
ND1 A:HIS78 2.9 33.1 0.8
DH A:TYR164 3.0 30.0 1.0
HD13 A:ILE74 3.0 30.5 1.0
OH A:TYR164 3.2 27.5 1.0
HB3 A:HIS78 3.2 37.4 0.8
CB A:HIS78 3.3 24.4 0.8
HE2 A:TYR164 3.3 29.0 1.0
HG13 A:ILE74 3.3 33.5 1.0
HE1 A:HIS78 3.4 34.7 0.8
HG12 A:ILE74 3.4 34.4 1.0
CE2 A:TYR164 3.6 25.1 1.0
HB2 A:HIS78 3.6 33.9 0.8
CZ A:TYR164 3.6 30.4 1.0
CG1 A:ILE74 3.7 31.3 1.0
DD1 A:HIS78 3.7 32.3 0.8
CD1 A:ILE74 3.7 33.3 1.0
HB2 A:ALA145 3.8 30.8 1.0
HE1 A:HIS147 3.8 35.6 1.0
O A:HOH446 3.9 34.5 1.0
HA A:HIC1 3.9 31.6 1.0
D1 A:HOH446 3.9 56.3 1.0
HB1 A:ALA145 4.0 30.8 1.0
OE1 A:GLN162 4.0 30.7 1.0
HB2 A:ALA75 4.1 40.7 1.0
CA A:HIC1 4.1 33.4 1.0
HD11 A:ILE74 4.1 32.7 1.0
HB3 A:ALA145 4.2 27.6 1.0
O A:HOH465 4.2 32.4 1.0
CB A:ALA145 4.2 25.9 1.0
ND1 A:HIC1 4.4 32.2 1.0
O A:HOH508 4.4 28.7 1.0
H A:ALA75 4.4 36.4 0.1
D2 A:HOH465 4.4 35.7 1.0
D A:ALA75 4.4 36.7 0.8
CE1 A:HIS147 4.5 32.9 1.0
HD12 A:ILE74 4.5 30.0 1.0
CA A:HIS78 4.5 27.7 0.8
HA A:HIS78 4.5 33.8 0.8
CE1 A:TYR164 4.6 25.8 1.0
CD2 A:TYR164 4.6 25.5 1.0
D2 A:HOH446 4.7 48.2 1.0
C A:HIC1 4.7 26.0 1.0
HG22 A:THR2 4.8 25.8 1.0
D1 A:HOH508 4.9 37.8 1.0
HE2 A:HIS147 4.9 37.3 0.0
DE2 A:HIS147 4.9 37.1 1.0
HE1 A:TYR164 4.9 30.8 1.0
D1 A:HOH465 4.9 49.4 1.0
HD2 A:TYR164 4.9 27.2 1.0

Reference:

T.Tandrup, L.Lo Leggio, F.Meilleur. Joint X-Ray/Neutron Structure of Lentinus Similis AA9_A at Room Temperature. Acta Crystallogr.,Sect.F V. 79 1 2023.
ISSN: ESSN 2053-230X
PubMed: 36598350
DOI: 10.1107/S2053230X22011335
Page generated: Tue Apr 4 22:48:41 2023

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