Chlorine in PDB 1e4w: Crossreactive Binding of A Circularized Peptide to An Anti-Tgfalpha Antibody Fab-Fragment

The structure of Crossreactive Binding of A Circularized Peptide to An Anti-Tgfalpha Antibody Fab-Fragment, PDB code: 1e4w was solved by M.Hahn, D.Winkler, R.Misselwitz, H.Wessner, K.Welfle, G.Zahn, J.Schneider-Mergener, W.Hoehne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.220, 94.350, 121.790, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 26.9

The structure of Crossreactive Binding of A Circularized Peptide to An Anti-Tgfalpha Antibody Fab-Fragment also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the Crossreactive Binding of A Circularized Peptide to An Anti-Tgfalpha Antibody Fab-Fragment (pdb code 1e4w). 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 Crossreactive Binding of A Circularized Peptide to An Anti-Tgfalpha Antibody Fab-Fragment, PDB code: 1e4w:

Chlorine binding site 1 out of 1 in the Crossreactive Binding of A Circularized Peptide to An Anti-Tgfalpha Antibody Fab-Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crossreactive Binding of A Circularized Peptide to An Anti-Tgfalpha Antibody Fab-Fragment within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl901 b:30.6 occ:1.00 O H:HOH2017 3.0 41.8 1.0 NH2 H:ARG56 3.2 28.9 1.0 ND2 P:ASN4 3.2 24.2 1.0 ND2 H:ASN58 3.3 26.3 1.0 NH1 H:ARG56 3.3 26.2 1.0 CZ H:ARG56 3.7 26.6 1.0 CZ2 H:TRP33 3.7 26.3 1.0 CB P:ASN4 3.7 30.9 1.0 O H:HOH2060 3.9 41.0 1.0 CG P:ASN4 3.9 30.8 1.0 CH2 H:TRP33 4.0 25.4 1.0 CG H:ASN58 4.2 29.3 1.0 OD1 H:ASN58 4.3 24.4 1.0 CD1 L:LEU94 4.6 30.0 1.0 CE2 H:TRP33 4.8 27.1 1.0 NE H:ARG56 5.0 28.2 1.0

M.Hahn, D.Winkler, K.Welfle, R.Misselwitz, H.Welfle, H.Wessner, G.Zahn, C.Scholz, M.Seifert, R.Harkins, J.Schneider-Mergener, W.Hoehne. Cross-Reactive Binding of Cyclic Peptides to An Anti-Tgf Alpha Antibody Fab Fragment: An X-Ray Structural and Thermodynamic Analysis J.Mol.Biol. V. 314 293 2001.
ISSN: ISSN 0022-2836
PubMed: 11718562
DOI: 10.1006/JMBI.2001.5135