Chlorine in PDB 4d9r: Inhibiting Alternative Pathway Complement Activation By Targeting the Exosite on Factor D

All present enzymatic activity of Inhibiting Alternative Pathway Complement Activation By Targeting the Exosite on Factor D:
3.4.21.46;

The structure of Inhibiting Alternative Pathway Complement Activation By Targeting the Exosite on Factor D, PDB code: 4d9r was solved by J.M.Murray, C.Wiesmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 2.42
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	132.048, 132.048, 180.288, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 25.1

The binding sites of Chlorine atom in the Inhibiting Alternative Pathway Complement Activation By Targeting the Exosite on Factor D (pdb code 4d9r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Inhibiting Alternative Pathway Complement Activation By Targeting the Exosite on Factor D, PDB code: 4d9r:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Inhibiting Alternative Pathway Complement Activation By Targeting the Exosite on Factor D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inhibiting Alternative Pathway Complement Activation By Targeting the Exosite on Factor D within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:35.2 occ:1.00 O D:HOH408 3.1 44.2 1.0 NE D:ARG55 3.1 35.7 1.0 N E:ASN109 3.3 31.4 1.0 NH2 D:ARG55 3.5 32.6 1.0 CZ D:ARG55 3.7 47.8 1.0 CB D:ARG55 3.8 35.6 1.0 CD D:PRO56 3.9 44.1 1.0 CA E:VAL108 3.9 31.6 1.0 CB E:ASN109 4.0 21.2 1.0 CG D:ARG55 4.1 39.5 1.0 CD D:ARG55 4.1 39.1 1.0 C E:VAL108 4.1 35.7 1.0 CA E:ASN109 4.2 30.0 1.0 CG1 E:VAL108 4.2 33.0 1.0 O E:GLY101 4.6 39.7 1.0 CB E:VAL108 4.6 33.8 1.0 O E:HOH353 4.7 51.4 1.0 N D:PRO56 4.7 42.5 1.0 CD2 D:LEU46 4.8 32.7 1.0 CG D:PRO56 4.8 49.0 1.0 CA D:ARG55 4.9 37.0 1.0 O D:LEU46 4.9 36.8 1.0 N E:VAL108 5.0 33.8 1.0

Chlorine binding site 2 out of 2 in the Inhibiting Alternative Pathway Complement Activation By Targeting the Exosite on Factor D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inhibiting Alternative Pathway Complement Activation By Targeting the Exosite on Factor D within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:63.2 occ:1.00 O D:ASP92 3.4 43.5 1.0 NH2 B:ARG223 3.8 93.8 1.0 NE2 B:HIS171 3.8 44.6 1.0 NH1 B:ARG170 3.9 54.4 1.0 CB D:SER93 4.1 38.2 1.0 O D:HOH427 4.1 48.3 1.0 CA D:SER93 4.2 37.3 1.0 CG2 B:THR170B 4.3 35.2 1.0 C D:ASP92 4.5 41.7 1.0 CE1 B:HIS171 4.6 44.4 1.0 NH2 B:ARG170 4.6 64.0 1.0 CZ B:ARG170 4.6 69.7 1.0 N D:SER93 4.8 37.4 1.0 CG B:LYS223A 4.8 43.6 1.0 CD2 B:HIS171 4.9 44.7 1.0 CE B:LYS223A 4.9 37.8 1.0

K.J.Katschke, P.Wu, R.Ganesan, R.F.Kelley, M.A.Mathieu, P.E.Hass, J.Murray, D.Kirchhofer, C.Wiesmann, M.Van Lookeren Campagne. Inhibiting Alternative Pathway Complement Activation By Targeting the Factor D Exosite. J.Biol.Chem. V. 287 12886 2012.
ISSN: ISSN 0021-9258
PubMed: 22362762
DOI: 10.1074/JBC.M112.345082