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Chlorine in PDB 3l28: Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant

Protein crystallography data

The structure of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant, PDB code: 3l28 was solved by D.W.Leung, K.C.Prins, D.M.Borek, M.Farahbakhsh, J.M.Tufariello, P.Ramanan, J.C.Nix, L.A.Helgeson, Z.Otwinowski, R.B.Honzatko, C.F.Basler, G.K.Amarasinghe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.77 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.381, 91.880, 102.595, 90.00, 99.60, 90.00
R / Rfree (%) 20 / 26.9

Other elements in 3l28:

The structure of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant also contains other interesting chemical elements:

Sodium (Na) 5 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant (pdb code 3l28). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant, PDB code: 3l28:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 3l28

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Chlorine binding site 1 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


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 Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:36.8
occ:1.00
 NE2 A:GLN274 3.1 2.0 1.0
O A:HOH348 3.2 15.7 1.0
O B:HOH19 3.5 2.0 1.0
O A:HOH23 3.9 2.0 1.0
OG B:SER310 4.0 18.6 1.0
O A:HOH93 4.0 2.0 1.0
CD A:GLN274 4.1 2.0 1.0
CD2 A:PHE239 4.2 2.0 1.0
CG A:GLN274 4.2 2.0 1.0
O B:ILE340 4.5 2.0 1.0
CB B:SER310 4.6 19.1 1.0
O B:LYS309 4.7 21.6 1.0
O B:HOH369 4.8 11.4 1.0
CB A:PHE239 4.8 2.0 1.0
CE2 A:PHE239 4.9 2.0 1.0
CG A:PHE239 4.9 2.0 1.0
CA B:SER310 4.9 16.6 1.0
CD2 A:LEU232 4.9 2.0 1.0

Chlorine binding site 2 out of 12 in 3l28

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Chlorine binding site 2 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


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 Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5

b:50.3
occ:1.00
 O A:HOH88 3.2 24.3 1.0
O A:HOH87 3.4 31.1 1.0
NE A:ARG322 3.8 7.1 1.0
NH2 A:ARG322 3.9 2.0 1.0
CE A:LYS319 4.1 5.7 1.0
CG A:LYS319 4.2 2.5 1.0
CZ A:ARG322 4.3 4.8 1.0
CD A:LYS319 4.4 5.4 1.0
CD A:ARG322 4.9 5.0 1.0

Chlorine binding site 3 out of 12 in 3l28

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Chlorine binding site 3 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9

b:31.1
occ:1.00
 ND1 A:HIS260 3.1 3.7 1.0
O A:HOH425 3.2 33.9 1.0
OD2 A:ASP257 3.3 8.4 1.0
O A:HOH458 3.4 24.5 1.0
CA A:ASP257 3.7 3.1 1.0
O A:ASP257 3.7 2.0 1.0
CB A:ASP257 3.8 6.0 1.0
CB A:HIS260 3.9 2.0 1.0
CG A:HIS260 3.9 3.6 1.0
CG A:ASP257 3.9 7.7 1.0
CE1 A:HIS260 4.2 3.6 1.0
C A:ASP257 4.2 2.5 1.0
CG2 A:ILE219 4.2 9.9 1.0
CB A:ILE219 4.7 9.5 1.0
N A:ALA261 4.8 2.0 1.0
N A:ASP257 4.9 2.0 1.0

Chlorine binding site 4 out of 12 in 3l28

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Chlorine binding site 4 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl12

b:52.0
occ:1.00
 NH2 B:ARG312 3.0 16.9 1.0
O A:HOH455 3.3 21.1 1.0
O A:ASP230 3.5 3.6 1.0
CD2 A:HIS231 3.8 2.0 1.0
C A:ASP230 4.1 6.6 1.0
NE2 A:HIS231 4.1 2.0 1.0
CG A:HIS231 4.3 2.0 1.0
CA A:HIS231 4.3 4.5 1.0
CZ B:ARG312 4.3 16.6 1.0
N A:HIS231 4.5 4.8 1.0
CE1 A:HIS231 4.7 2.0 1.0
ND1 A:HIS231 4.8 2.0 1.0
NH1 B:ARG312 4.8 16.6 1.0
CB A:HIS231 4.8 2.0 1.0
CB A:ASP230 4.9 11.2 1.0

Chlorine binding site 5 out of 12 in 3l28

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Chlorine binding site 5 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl341

b:36.1
occ:1.00
 N B:ALA221 3.5 8.6 1.0
NA B:NA3 3.6 19.6 1.0
CA B:SER220 3.7 9.8 1.0
CB B:SER220 3.9 9.6 1.0
CG B:LYS251 3.9 7.5 1.0
CE B:LYS251 3.9 11.9 1.0
CD1 B:LEU256 4.0 4.9 1.0
C B:SER220 4.1 10.1 1.0
CD B:LYS251 4.2 8.8 1.0
CB B:ALA221 4.3 8.0 1.0
CA B:ALA221 4.5 7.9 1.0
CB B:LYS251 4.8 4.4 1.0
O B:HOH405 4.9 23.1 1.0

Chlorine binding site 6 out of 12 in 3l28

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Chlorine binding site 6 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl8

b:40.9
occ:1.00
 OG B:SER266 3.3 2.4 1.0
NE2 B:GLN279 3.5 10.9 1.0
OD2 B:ASP271 3.5 2.0 1.0
O A:HOH102 3.6 25.1 1.0
OE1 B:GLU269 3.8 15.9 1.0
CG B:GLN279 3.9 9.5 1.0
NH1 A:ARG322 4.0 5.2 1.0
CD B:GLN279 4.1 11.3 1.0
CB B:SER266 4.1 2.0 1.0
O B:HOH400 4.3 28.1 1.0
CG B:ASP271 4.3 2.0 1.0
CA B:SER266 4.4 2.0 1.0
OD1 B:ASP271 4.4 2.0 1.0
CD B:GLU269 4.5 15.8 1.0
CB B:GLN279 4.6 6.5 1.0
O B:HOH134 4.7 23.1 1.0
O A:HOH361 5.0 14.2 1.0
OE2 B:GLU269 5.0 16.8 1.0

Chlorine binding site 7 out of 12 in 3l28

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Chlorine binding site 7 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl11

b:43.6
occ:1.00
 O C:HOH355 3.5 18.4 1.0
NE C:ARG322 3.6 2.0 1.0
NH2 C:ARG322 3.9 2.3 1.0
O C:HOH353 3.9 26.8 1.0
CE C:LYS319 4.0 2.0 1.0
CZ C:ARG322 4.2 4.8 1.0
CG C:LYS319 4.5 2.0 1.0
NZ C:LYS319 4.6 2.0 1.0
CD C:ARG322 4.7 2.0 1.0
CD C:LYS319 4.7 2.0 1.0

Chlorine binding site 8 out of 12 in 3l28

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Chlorine binding site 8 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl341

b:32.5
occ:1.00
 O D:HOH376 3.4 14.4 1.0
N D:SER317 3.7 8.5 1.0
CA D:SER317 4.3 8.3 1.0
O D:HOH180 4.5 23.2 1.0
CB D:SER317 4.5 10.0 1.0
C D:PRO316 4.6 8.3 1.0
CA D:PRO316 4.6 6.9 1.0
CB D:PRO316 5.0 6.7 1.0

Chlorine binding site 9 out of 12 in 3l28

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Chlorine binding site 9 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl7

b:52.0
occ:1.00
 O D:HOH172 3.3 14.3 1.0
O D:HOH360 3.4 24.7 1.0
O D:HOH71 3.5 22.3 1.0
NH2 D:ARG322 3.5 6.2 1.0
NE D:ARG322 3.7 4.5 1.0
O C:HOH84 3.9 15.5 1.0
CZ D:ARG322 4.1 6.5 1.0
CG D:LYS319 4.6 4.8 1.0
CE D:LYS319 4.7 5.6 1.0
CD D:ARG322 4.8 4.0 1.0
CD D:LYS319 5.0 3.0 1.0

Chlorine binding site 10 out of 12 in 3l28

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Chlorine binding site 10 out of 12 in the Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Zaire Ebola VP35 Interferon Inhibitory Domain K339A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl341

b:42.0
occ:1.00
 OE1 E:GLN279 3.5 5.8 1.0
CD E:LYS282 3.8 15.6 1.0
O F:HOH439 3.9 31.9 1.0
CZ E:ARG283 4.1 17.6 1.0
NZ F:LYS282 4.2 13.9 1.0
NH2 E:ARG283 4.2 18.5 1.0
O E:HOH498 4.2 19.4 1.0
NE E:ARG283 4.3 17.8 1.0
CD F:LYS282 4.3 15.0 1.0
CB E:LYS282 4.3 12.3 1.0
CD E:GLN279 4.5 4.0 1.0
NH1 E:ARG283 4.5 16.7 1.0
CE E:LYS282 4.6 16.7 1.0
CG E:LYS282 4.6 12.8 1.0
NE2 E:GLN279 4.6 6.8 1.0
CE F:LYS282 4.7 17.0 1.0
NE2 F:GLN279 4.9 17.6 1.0
CD E:ARG283 4.9 16.0 1.0

Reference:

D.W.Leung, K.C.Prins, D.M.Borek, M.Farahbakhsh, J.M.Tufariello, P.Ramanan, J.C.Nix, L.A.Helgeson, Z.Otwinowski, R.B.Honzatko, C.F.Basler, G.K.Amarasinghe. Structural Basis For Dsrna Recognition and Interferon Antagonism By Ebola VP35. Nat.Struct.Mol.Biol. V. 17 165 2010.
ISSN: ISSN 1545-9993
PubMed: 20081868
DOI: 10.1038/NSMB.1765
Page generated: Sat Jul 20 23:02:27 2024

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