Chlorine in PDB 8vvl: Cchfv GP38 Bound to C13G8 Fab

The structure of Cchfv GP38 Bound to C13G8 Fab, PDB code: 8vvl was solved by C.K.Hjorth, A.K.Mishra, J.S.Mclellan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.16 / 1.80
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.429, 67.629, 140.983, 90, 96.53, 90
R / Rfree (%)	20 / 21.5

The structure of Cchfv GP38 Bound to C13G8 Fab also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Cchfv GP38 Bound to C13G8 Fab (pdb code 8vvl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Cchfv GP38 Bound to C13G8 Fab, PDB code: 8vvl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Cchfv GP38 Bound to C13G8 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cchfv GP38 Bound to C13G8 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:40.2 occ:1.00 O A:HOH874 2.6 34.5 1.0 O A:HOH857 2.6 38.0 1.0 O A:GLN259 2.9 23.4 1.0 O A:HOH887 3.0 41.6 1.0 C A:GLN259 3.6 25.6 1.0 CA A:GLN259 3.6 26.4 1.0 CB A:GLN259 3.6 27.5 1.0 CG A:LYS263 3.7 25.4 1.0 CE A:LYS263 3.8 30.4 1.0 CB A:LYS262 4.1 26.7 1.0 CG A:GLN259 4.2 30.3 1.0 CD A:LYS263 4.4 28.0 1.0 O A:HOH776 4.4 28.7 1.0 O A:HOH884 4.4 42.3 1.0 O A:HOH872 4.5 52.0 1.0 N A:LYS263 4.6 23.7 1.0 O A:HOH841 4.7 46.0 1.0 O A:HOH713 4.7 38.4 1.0 N A:GLY260 4.7 24.4 1.0 CG A:LYS262 4.8 29.3 1.0 CD A:LYS262 4.8 33.1 1.0 CB A:LYS263 5.0 25.3 1.0

Chlorine binding site 2 out of 6 in the Cchfv GP38 Bound to C13G8 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cchfv GP38 Bound to C13G8 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl607 b:34.1 occ:1.00 OD1 A:ASP355 2.7 30.2 1.0 CA A:GLY357 3.2 28.5 1.0 N A:GLY357 3.2 27.0 1.0 C A:GLY357 3.3 28.8 1.0 O A:TYR359 3.4 25.2 1.0 O A:GLY357 3.6 30.2 1.0 N A:TYR359 3.7 27.5 1.0 C A:TYR359 3.7 28.3 1.0 CG A:ASP355 3.8 31.0 1.0 N A:TYR358 3.8 26.0 1.0 CB A:SER360 4.1 29.3 1.0 CA A:TYR359 4.1 28.4 1.0 C A:TYR358 4.2 28.6 1.0 N A:SER360 4.3 26.1 1.0 OD2 A:ASP355 4.4 35.6 1.0 N A:SER356 4.4 25.5 1.0 C A:SER356 4.4 26.5 1.0 CA A:TYR358 4.5 28.0 1.0 CA A:SER360 4.7 26.6 1.0 CB A:ASP355 4.8 28.4 1.0 OG A:SER360 4.8 32.7 1.0 C A:ASP355 4.8 27.7 1.0 CA A:ASP355 4.9 26.8 1.0 O A:TYR358 4.9 26.9 1.0

Chlorine binding site 3 out of 6 in the Cchfv GP38 Bound to C13G8 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cchfv GP38 Bound to C13G8 Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl302 b:50.1 occ:1.00 N H:SER28 3.3 38.4 1.0 OD1 H:ASN31 3.3 48.7 1.0 CE2 H:TYR32 3.7 39.8 1.0 CA H:PHE27 3.9 39.3 1.0 CB H:SER28 3.9 40.2 1.0 CB H:PHE27 4.0 37.9 1.0 C H:PHE27 4.1 39.3 1.0 CG H:ASN31 4.1 48.7 1.0 CA H:SER28 4.1 39.4 1.0 CB H:ASN31 4.1 41.3 1.0 CD2 H:TYR32 4.3 37.7 1.0 O H:SER28 4.4 36.3 1.0 C H:SER28 4.8 36.7 1.0 CZ H:TYR32 4.9 42.3 1.0

Chlorine binding site 4 out of 6 in the Cchfv GP38 Bound to C13G8 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cchfv GP38 Bound to C13G8 Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl303 b:44.8 occ:1.00 O H:HOH505 2.9 49.9 1.0 N H:TYR59 3.0 28.8 1.0 O H:HOH509 3.1 45.8 1.0 O H:HOH411 3.3 44.0 1.0 CE H:MET64 3.5 49.5 1.0 CA H:LYS58 3.7 29.5 1.0 CD H:LYS58 3.8 37.4 1.0 CD2 H:TYR59 3.8 34.8 1.0 C H:LYS58 3.9 27.3 1.0 CA H:TYR59 3.9 28.8 1.0 CB H:TYR59 3.9 31.6 1.0 O H:TYR59 4.0 29.8 1.0 CG H:TYR59 4.1 31.2 1.0 C H:TYR59 4.4 29.4 1.0 NZ H:LYS58 4.4 44.2 1.0 O H:THR57 4.4 29.1 1.0 CG H:LYS58 4.6 33.2 1.0 N H:LYS58 4.6 29.2 1.0 CE H:LYS58 4.6 40.9 1.0 CE2 H:TYR59 4.7 32.8 1.0 CB H:LYS58 4.7 28.6 1.0 CB H:MET64 4.8 43.9 1.0 C H:THR57 4.8 30.3 1.0 O H:HOH425 5.0 37.6 1.0

Chlorine binding site 5 out of 6 in the Cchfv GP38 Bound to C13G8 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cchfv GP38 Bound to C13G8 Fab within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl303 b:34.5 occ:1.00 O L:PRO95 2.8 24.0 1.0 N L:ILE2 2.9 30.5 1.0 CE A:MET251 3.1 44.0 1.0 NE2 L:GLN90 3.3 25.1 1.0 O L:PHE93 3.5 27.1 1.0 O L:ASN94 3.5 32.8 1.0 CA L:PCA1 3.5 34.6 1.0 N L:PRO95 3.5 28.5 1.0 C L:ASN94 3.6 30.5 1.0 CD L:PRO95 3.6 29.3 1.0 C L:PCA1 3.7 33.4 1.0 CG1 L:ILE2 3.7 28.6 1.0 C L:PRO95 3.8 27.3 1.0 CB L:ILE2 3.8 27.8 1.0 CA L:ILE2 3.9 29.0 1.0 C L:PHE93 3.9 29.7 1.0 CB L:PHE93 3.9 30.6 1.0 CG2 L:THR97 4.0 26.4 1.0 CB L:PCA1 4.0 33.3 1.0 CG L:PRO95 4.1 29.2 1.0 CA L:PRO95 4.2 27.6 1.0 OG1 L:THR97 4.3 24.1 1.0 CD L:GLN90 4.4 25.9 1.0 N L:ASN94 4.4 30.4 1.0 CA L:ASN94 4.5 29.6 1.0 CA L:PHE93 4.5 28.3 1.0 O L:ILE2 4.6 27.5 1.0 SD A:MET251 4.7 59.4 1.0 N L:PCA1 4.7 36.9 1.0 C L:ILE2 4.8 28.9 1.0 CB L:THR97 4.8 25.7 1.0 O L:PCA1 4.9 32.9 1.0 CB L:PRO95 4.9 28.5 1.0 N L:LEU96 4.9 25.3 1.0 OE1 L:GLN90 5.0 25.1 1.0 CD1 L:ILE2 5.0 29.9 1.0

Chlorine binding site 6 out of 6 in the Cchfv GP38 Bound to C13G8 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Cchfv GP38 Bound to C13G8 Fab within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl304 b:42.5 occ:1.00 OG L:SER70 3.2 33.1 1.0 NE1 L:TRP24 3.2 31.6 1.0 CB L:SER70 3.7 28.8 1.0 CE2 L:TRP24 4.0 31.9 1.0 CZ2 L:TRP24 4.1 31.2 1.0 CD1 L:TRP24 4.3 30.2 1.0 O L:HOH455 4.7 37.7 1.0

O.S.Shin, S.R.Monticelli, C.K.Hjorth, V.Hornet, M.Doyle, D.Abelson, A.I.Kuehne, A.Wang, R.R.Bakken, A.K.Mishra, M.Middlecamp, E.Champney, L.Stuart, D.P.Maurer, J.Li, J.L.Berrigan, S.Balinandi, J.J.Lutwama, L.Lobel, L.Zeitlin, L.M.Walker, J.M.Dye, K.Chandran, A.S.Herbert, N.T.Pauli, J.S.Mclellan. Crimean-Congo Hemorrhagic Fever Survivors Elicit Protective Non-Neutralizing Antibodies That Target 11 Overlapping Regions on Viral Glycoprotein GP38 To Be Published.