Chlorine in PDB 5dnf: Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin

The structure of Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin, PDB code: 5dnf was solved by W.G.Liang, W.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.70 / 2.55
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	121.190, 210.063, 123.827, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 23.4

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>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin (pdb code 5dnf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin, PDB code: 5dnf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:32.9 occ:0.74 OG B:SER35 3.0 67.5 1.0 N A:SER35 3.4 24.6 1.0 OG A:SER35 3.4 53.4 1.0 O A:HOH219 3.7 28.9 1.0 N B:SER35 3.7 39.8 1.0 CZ A:PHE12 3.8 30.4 1.0 CB A:SER35 3.9 27.4 1.0 CA A:CYS34 4.0 20.6 1.0 CZ B:PHE12 4.0 29.4 1.0 CE1 A:PHE12 4.1 28.2 1.0 CE1 B:PHE12 4.1 19.8 1.0 C A:CYS34 4.2 28.1 1.0 CB B:SER35 4.2 29.9 1.0 SG A:CYS10 4.2 37.5 1.0 CA B:CYS34 4.3 25.9 1.0 CA A:SER35 4.3 28.0 1.0 SG B:CYS10 4.3 34.3 1.0 O B:HOH213 4.4 35.4 1.0 C B:CYS34 4.5 26.9 1.0 CB A:CYS10 4.6 31.1 1.0 CA B:SER35 4.6 31.7 1.0 CB A:CYS34 4.6 19.0 1.0 O A:LYS33 4.6 28.5 1.0 O B:LYS33 4.6 32.7 1.0 CE2 A:PHE12 4.9 29.1 1.0 CB B:CYS10 4.9 28.9 1.0 CB B:CYS34 4.9 17.2 1.0

Chlorine binding site 2 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl105 b:30.0 occ:1.00 O3 A:SO4103 3.4 58.4 0.7 O A:HOH222 3.6 61.2 1.0 CD1 A:TRP57 3.8 35.2 1.0 CE A:LYS56 4.1 81.3 1.0 N A:TRP57 4.1 36.9 1.0 NZ A:LYS55 4.2 60.7 1.0 CB A:LYS56 4.2 50.1 1.0 CB A:TRP57 4.3 28.4 1.0 CE A:LYS55 4.3 50.3 1.0 CG A:TRP57 4.5 35.2 1.0 N A:LYS56 4.6 41.7 1.0 NZ A:LYS56 4.6 71.2 1.0 CA A:LYS56 4.8 38.4 1.0 CA A:TRP57 4.8 39.9 1.0 CD A:LYS56 4.8 66.5 1.0 S A:SO4103 4.8 90.3 0.7 C A:LYS56 4.9 44.6 1.0 NE1 A:TRP57 5.0 30.0 1.0

Chlorine binding site 3 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:81.1 occ:1.00 NH1 B:ARG21 3.4 32.4 1.0 O B:ILE24 3.5 41.6 1.0 NH2 B:ARG21 4.0 38.9 1.0 CZ B:ARG21 4.2 36.1 1.0 C B:ILE24 4.6 32.0 1.0 O B:ALA22 4.9 41.0 1.0 CA B:LYS25 4.9 35.4 1.0 CD2 B:LEU65 5.0 19.5 1.0

Chlorine binding site 4 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:76.3 occ:1.00 O B:HOH217 3.2 44.9 1.0 N B:LYS56 3.6 46.4 1.0 CB B:LYS56 3.9 43.5 1.0 CG B:LYS55 4.0 36.5 1.0 CA B:LYS55 4.3 35.6 1.0 CD B:LYS55 4.3 45.3 1.0 CA B:LYS56 4.4 42.9 1.0 CE B:LYS55 4.4 56.5 1.0 C B:LYS55 4.4 43.4 1.0 CB B:LYS55 4.7 38.2 1.0 O B:GLU54 5.0 46.9 1.0

Chlorine binding site 5 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl103 b:53.5 occ:1.00 OG C:SER35 3.4 66.5 1.0 OG D:SER35 3.4 67.5 1.0 N C:SER35 3.6 37.2 1.0 N D:SER35 3.7 40.0 1.0 CZ C:PHE12 3.7 31.7 1.0 CZ D:PHE12 3.8 28.8 1.0 CE1 C:PHE12 3.9 25.3 1.0 CE1 D:PHE12 3.9 23.5 1.0 CB D:SER35 4.0 38.6 1.0 CB C:SER35 4.0 39.0 1.0 CA C:CYS34 4.3 26.5 1.0 O C:HOH213 4.3 34.9 1.0 CA D:CYS34 4.3 29.2 1.0 O D:HOH210 4.3 34.4 1.0 SG C:CYS10 4.3 36.3 1.0 SG D:CYS10 4.4 40.8 1.0 O D:LYS33 4.5 27.6 1.0 C C:CYS34 4.5 28.8 1.0 CA C:SER35 4.5 35.4 1.0 CA D:SER35 4.5 36.7 1.0 C D:CYS34 4.5 31.9 1.0 O C:LYS33 4.5 25.0 1.0 CB C:CYS10 4.8 34.9 1.0 CB D:CYS10 4.8 31.6 1.0 CE2 C:PHE12 5.0 27.6 1.0

Chlorine binding site 6 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl104 b:81.5 occ:1.00 O C:ILE24 3.4 44.2 1.0 NH1 C:ARG21 3.5 34.6 1.0 NH2 C:ARG21 4.2 39.4 1.0 CZ C:ARG21 4.3 39.2 1.0 CD2 C:LEU65 4.4 24.0 1.0 C C:ILE24 4.6 37.1 1.0 O C:LYS25 4.8 50.9 1.0 CA C:LYS25 5.0 37.4 1.0

Chlorine binding site 7 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl105 b:73.1 occ:0.94 O C:HOH218 3.5 35.9 1.0 O C:HOH210 3.7 47.7 1.0 CE C:LYS55 3.9 70.7 1.0 CB C:ASN52 4.0 42.1 1.0 CG C:LYS55 4.0 42.5 1.0 O C:ILE15 4.0 56.1 1.0 CB C:TYR14 4.1 29.6 1.0 ND2 C:ASN52 4.2 44.0 1.0 CD2 C:TYR14 4.5 26.6 1.0 CD C:LYS55 4.6 70.0 1.0 CG C:TYR14 4.6 33.7 1.0 CG C:ASN52 4.7 45.5 1.0 CA C:ALA16 4.8 43.0 1.0 C C:ILE15 4.9 39.8 1.0

Chlorine binding site 8 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl106 b:51.0 occ:0.76 O C:ARG59 2.9 44.0 1.0 CG E:PRO20 3.5 40.5 1.0 C C:ARG59 3.7 31.1 1.0 CA C:ARG59 3.7 28.9 1.0 NE2 E:HIS23 3.7 48.5 1.0 CB C:ILE62 3.8 38.7 1.0 N C:ASN63 3.8 36.1 1.0 CG2 C:ILE62 3.8 34.7 1.0 CB C:ARG59 3.9 33.6 1.0 CE1 E:HIS23 4.0 50.4 1.0 CB C:ASN63 4.3 40.7 1.0 CD E:PRO20 4.3 31.1 1.0 CA C:ASN63 4.4 34.7 1.0 C C:ILE62 4.5 40.0 1.0 CB E:PRO20 4.5 36.3 1.0 CG C:ARG59 4.6 34.2 1.0 CA C:ILE62 4.7 34.9 1.0 CD1 C:ILE62 4.7 33.1 1.0 ND2 C:ASN63 4.7 93.0 1.0 CG C:ASN63 4.8 56.7 1.0 CG1 C:ILE62 4.8 28.7 1.0 CD2 E:HIS23 4.8 54.9 1.0 N C:GLU60 4.9 37.8 1.0

Chlorine binding site 9 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl102 b:82.7 occ:1.00 O D:ILE24 3.4 43.2 1.0 NH1 D:ARG21 3.9 35.1 1.0 O D:LYS25 4.5 52.8 1.0 C D:ILE24 4.6 41.2 1.0 NH2 D:ARG21 4.6 40.9 1.0 CD2 D:LEU65 4.6 21.2 1.0 CZ D:ARG21 4.7 36.0 1.0 CA D:LYS25 4.7 34.8 1.0 C D:LYS25 5.0 39.4 1.0

Chlorine binding site 10 out of 20 in the Crystal Structure of Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin


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 Cc Chemokine 5 (CCL5) Oligomer in Complex with Heparin within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl103 b:74.9 occ:0.70 O D:HOH213 3.5 37.2 1.0 O D:HOH206 3.7 49.0 1.0 CE D:LYS55 3.9 72.2 1.0 CB D:ASN52 4.0 42.3 1.0 O D:ILE15 4.1 52.0 1.0 CB D:TYR14 4.1 28.7 1.0 CG D:LYS55 4.2 39.0 1.0 ND2 D:ASN52 4.3 43.1 1.0 CD2 D:TYR14 4.4 24.0 1.0 CG D:TYR14 4.6 32.4 1.0 CD D:LYS55 4.7 74.3 1.0 CG D:ASN52 4.7 44.3 1.0

W.G.Liang, C.G.Triandafillou, T.Y.Huang, M.M.Zulueta, S.Banerjee, A.R.Dinner, S.C.Hung, W.J.Tang. Structural Basis For Oligomerization and Glycosaminoglycan Binding of CCL5 and CCL3. Proc.Natl.Acad.Sci.Usa V. 113 5000 2016.
ISSN: ESSN 1091-6490
PubMed: 27091995
DOI: 10.1073/PNAS.1523981113