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Chlorine in PDB 4dya: Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound

Protein crystallography data

The structure of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound, PDB code: 4dya was solved by H.A.Lewis, E.T.Baldwin, S.Steinbacher, K.Maskos, M.Mortl, R.Kiefersauer, S.Edavettal, P.A.Mcdonnell, B.C.Pearce, D.R.Langley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.51 / 2.75
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 145.496, 145.496, 145.496, 90.00, 90.00, 90.00
R / Rfree (%) 25.2 / 29.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound (pdb code 4dya). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound, PDB code: 4dya:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4dya

Go back to Chlorine Binding Sites List in 4dya
Chlorine binding site 1 out of 2 in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:35.1
occ:1.00
CL4 A:0MF601 0.0 35.1 1.0
C16 A:0MF601 1.7 35.1 1.0
C8 A:0MF601 2.7 35.1 1.0
C12 A:0MF601 2.7 35.1 1.0
OH B:TYR52 3.0 33.3 1.0
N29 A:0MF601 3.1 35.0 1.0
C23 A:0MF601 3.3 34.9 1.0
CZ B:TYR52 3.5 33.3 1.0
CB A:ASN309 3.7 35.8 1.0
CD1 A:LEU306 3.9 33.7 1.0
C14 A:0MF601 4.0 35.2 1.0
C7 A:0MF601 4.0 35.3 1.0
CE2 B:TYR52 4.1 33.8 1.0
C25 A:0MF601 4.1 35.0 1.0
CE1 B:TYR52 4.2 32.7 1.0
CD1 A:TYR289 4.2 37.4 1.0
CG A:ASN309 4.3 35.3 1.0
CG A:TYR289 4.3 37.5 1.0
OD1 A:ASN309 4.4 34.5 1.0
C22 A:0MF601 4.4 34.6 1.0
C13 A:0MF601 4.5 35.1 1.0
CE1 A:TYR289 4.6 37.4 1.0
CB A:TYR289 4.7 37.6 1.0
CB A:ALA284 4.7 33.5 1.0
CA A:LEU306 4.8 34.9 1.0
CD2 A:TYR289 4.9 37.6 1.0
O A:LEU306 4.9 35.1 1.0
O A:ASN309 4.9 36.5 1.0

Chlorine binding site 2 out of 2 in 4dya

Go back to Chlorine Binding Sites List in 4dya
Chlorine binding site 2 out of 2 in the Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Wsn/A Influenza Nucleoprotein with Bms-885986 Ligand Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:43.3
occ:1.00
CL4 B:0MF601 0.0 43.3 1.0
C16 B:0MF601 1.7 43.3 1.0
C8 B:0MF601 2.7 43.3 1.0
C12 B:0MF601 2.7 43.1 1.0
OH A:TYR52 2.8 39.1 1.0
N29 B:0MF601 3.0 43.0 1.0
C23 B:0MF601 3.2 41.7 1.0
CZ A:TYR52 3.3 38.9 1.0
CB B:ASN309 3.7 39.2 1.0
CD1 B:TYR289 3.8 42.6 1.0
C14 B:0MF601 4.0 43.4 1.0
CE1 A:TYR52 4.0 38.2 1.0
CE2 A:TYR52 4.0 39.0 1.0
C7 B:0MF601 4.0 43.3 1.0
C25 B:0MF601 4.0 40.2 1.0
CD1 B:LEU306 4.0 39.5 1.0
CG B:TYR289 4.2 42.9 1.0
CE1 B:TYR289 4.3 42.9 1.0
CG B:ASN309 4.3 38.9 1.0
C22 B:0MF601 4.4 41.5 1.0
CB B:TYR289 4.5 43.1 1.0
C13 B:0MF601 4.5 43.4 1.0
CB B:ALA284 4.5 40.1 1.0
ND2 B:ASN309 4.5 38.8 1.0
O B:ASN309 4.8 39.3 1.0
CA B:LEU306 4.9 40.2 1.0
C24 B:0MF601 4.9 40.3 1.0
CD2 A:TYR52 5.0 38.9 1.0
CD1 A:TYR52 5.0 38.7 1.0
CD2 B:TYR289 5.0 42.8 1.0

Reference:

H.A.Lewis, E.T.Baldwin, S.Steinbacher, K.Maskos, M.Mortl, R.Kiefersauer, S.Edavettal, P.A.Mcdonnell, B.C.Pearce, D.R.Langley. To Be Determined To Be Published.
Page generated: Fri Jul 11 14:33:28 2025

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