Atomistry » Chlorine » PDB 4i22-4ibe » 4ibc
Atomistry »
  Chlorine »
    PDB 4i22-4ibe »
      4ibc »

Chlorine in PDB 4ibc: Ebola Virus VP35 Bound to Small Molecule

Protein crystallography data

The structure of Ebola Virus VP35 Bound to Small Molecule, PDB code: 4ibc was solved by C.S.Brown, D.W.Leung, W.Xu, D.M.Borek, Z.Otwinowski, P.Ramanan, A.J.Stubbs, D.S.Peterson, J.M.Binning, G.K.Amarasinghe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.95 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.947, 65.902, 72.040, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 25

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ebola Virus VP35 Bound to Small Molecule (pdb code 4ibc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ebola Virus VP35 Bound to Small Molecule, PDB code: 4ibc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4ibc

Go back to Chlorine Binding Sites List in 4ibc
Chlorine binding site 1 out of 4 in the Ebola Virus VP35 Bound to Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ebola Virus VP35 Bound to Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:32.7
occ:1.00
CLA A:12G401 0.0 32.7 1.0
CBB A:12G401 1.7 26.8 1.0
CAM A:12G401 2.7 33.4 1.0
CBE A:12G401 2.7 30.3 1.0
CBF A:12G401 3.2 33.1 1.0
OAB A:12G401 3.4 37.6 1.0
C A:GLN244 3.6 12.2 1.0
O A:GLN244 3.6 12.8 1.0
N A:VAL245 3.6 11.1 1.0
CG2 A:VAL245 3.7 13.6 1.0
CA A:VAL245 3.8 8.6 1.0
CB A:GLN244 3.8 17.2 1.0
NE2 A:GLN241 3.8 24.5 1.0
CAI A:12G401 4.0 32.9 1.0
CAS A:12G401 4.0 40.0 1.0
CAO A:12G401 4.0 31.4 1.0
NBG A:12G401 4.1 40.7 1.0
CAY A:12G401 4.1 38.6 1.0
CD1 A:ILE295 4.1 25.1 1.0
CAV A:12G401 4.2 35.4 1.0
CB A:LYS248 4.2 19.7 1.0
CBC A:12G401 4.2 38.6 1.0
CA A:GLN244 4.3 12.1 1.0
CB A:VAL245 4.4 12.6 1.0
CAK A:12G401 4.5 36.2 1.0
CG A:LYS248 4.7 28.9 1.0
OE1 A:GLN244 4.8 42.5 1.0
CAQ A:12G401 4.8 42.3 1.0
CD A:GLN241 4.9 24.6 1.0
O A:GLN241 4.9 9.3 1.0
C A:VAL245 5.0 9.8 1.0

Chlorine binding site 2 out of 4 in 4ibc

Go back to Chlorine Binding Sites List in 4ibc
Chlorine binding site 2 out of 4 in the Ebola Virus VP35 Bound to Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ebola Virus VP35 Bound to Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:47.5
occ:1.00
CL2 A:12G401 0.0 47.5 1.0
CBA A:12G401 1.7 41.7 1.0
CAL A:12G401 2.7 38.0 1.0
CBD A:12G401 2.7 39.9 1.0
CAV A:12G401 3.1 35.4 1.0
CAY A:12G401 3.2 38.6 1.0
OAE A:12G401 3.3 41.4 1.0
CAW A:12G401 3.4 45.0 1.0
CG2 A:ILE295 3.7 25.9 1.0
O A:HOH589 3.9 31.9 1.0
CAO A:12G401 3.9 31.4 1.0
OAB A:12G401 4.0 37.6 1.0
CAH A:12G401 4.0 38.0 1.0
CAN A:12G401 4.0 33.8 1.0
CBF A:12G401 4.2 33.1 1.0
CBE A:12G401 4.4 30.3 1.0
CAX A:12G401 4.4 48.3 1.0
CAJ A:12G401 4.5 34.9 1.0
CAK A:12G401 4.8 36.2 1.0
NBG A:12G401 4.8 40.7 1.0
O A:HIS296 4.9 37.1 1.0
CG2 A:ILE297 5.0 29.6 1.0

Chlorine binding site 3 out of 4 in 4ibc

Go back to Chlorine Binding Sites List in 4ibc
Chlorine binding site 3 out of 4 in the Ebola Virus VP35 Bound to Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ebola Virus VP35 Bound to Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:30.7
occ:1.00
CLA B:12G401 0.0 30.7 1.0
CBB B:12G401 1.7 28.2 1.0
CAM B:12G401 2.7 32.1 1.0
CBE B:12G401 2.7 30.4 1.0
CBF B:12G401 3.1 34.8 1.0
OAB B:12G401 3.3 34.4 1.0
O B:GLN244 3.6 11.8 1.0
C B:GLN244 3.6 9.8 1.0
N B:VAL245 3.7 11.7 1.0
CA B:VAL245 3.8 9.5 1.0
CG2 B:VAL245 3.8 10.2 1.0
CB B:GLN244 3.8 12.5 1.0
NE2 B:GLN241 3.8 28.2 1.0
CAR B:12G401 4.0 44.2 1.0
CAI B:12G401 4.0 31.6 1.0
CAO B:12G401 4.0 32.9 1.0
CAY B:12G401 4.0 35.9 1.0
NBG B:12G401 4.0 40.4 1.0
CAV B:12G401 4.1 31.5 1.0
CBC B:12G401 4.2 42.7 1.0
CD1 B:ILE295 4.2 22.4 1.0
CB B:LYS248 4.3 15.9 1.0
CA B:GLN244 4.4 12.8 1.0
CB B:VAL245 4.4 11.7 1.0
CAK B:12G401 4.5 30.9 1.0
OE1 B:GLN244 4.7 47.1 1.0
CG B:LYS248 4.8 20.7 1.0
CAP B:12G401 4.8 39.1 1.0
CD B:GLN241 4.9 19.4 1.0
O B:GLN241 4.9 10.6 1.0

Chlorine binding site 4 out of 4 in 4ibc

Go back to Chlorine Binding Sites List in 4ibc
Chlorine binding site 4 out of 4 in the Ebola Virus VP35 Bound to Small Molecule


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ebola Virus VP35 Bound to Small Molecule within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:64.2
occ:1.00
CL2 B:12G401 0.0 64.2 1.0
CBA B:12G401 1.7 40.2 1.0
CAL B:12G401 2.7 40.2 1.0
CBD B:12G401 2.7 32.8 1.0
CAV B:12G401 3.0 31.5 1.0
CAY B:12G401 3.2 35.9 1.0
OAE B:12G401 3.2 47.6 1.0
CAW B:12G401 3.4 43.4 1.0
CG2 B:ILE295 3.6 25.3 1.0
C1 A:DMS402 3.8 42.7 1.0
OAB B:12G401 4.0 34.4 1.0
CAH B:12G401 4.0 39.6 1.0
CAN B:12G401 4.0 26.4 1.0
CAO B:12G401 4.1 32.9 1.0
CBF B:12G401 4.2 34.8 1.0
CBE B:12G401 4.4 30.4 1.0
CAX B:12G401 4.5 46.1 1.0
CAJ B:12G401 4.5 34.1 1.0
NBG B:12G401 4.9 40.4 1.0
CAK B:12G401 4.9 30.9 1.0
CG2 B:ILE297 5.0 22.5 1.0

Reference:

C.S.Brown, M.S.Lee, D.W.Leung, T.Wang, W.Xu, P.Luthra, M.Anantpadma, R.S.Shabman, L.M.Melito, K.S.Macmillan, D.M.Borek, Z.Otwinowski, P.Ramanan, A.J.Stubbs, D.S.Peterson, J.M.Binning, M.Tonelli, M.A.Olson, R.A.Davey, J.M.Ready, C.F.Basler, G.K.Amarasinghe. In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol. V. 426 2045 2014.
ISSN: ISSN 0022-2836
PubMed: 24495995
DOI: 10.1016/J.JMB.2014.01.010
Page generated: Sun Jul 21 16:31:25 2024

Last articles

Ca in 2OXS
Ca in 2OX8
Ca in 2OW2
Ca in 2OWL
Ca in 2OVZ
Ca in 2OVX
Ca in 2OW4
Ca in 2OW0
Ca in 2OW1
Ca in 2OS9
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy