Chlorine in PDB 3me2: Crystal Structure of Mouse Rankl-Rank Complex

The structure of Crystal Structure of Mouse Rankl-Rank Complex, PDB code: 3me2 was solved by S.W.Walter, C.Z.Liu, X.K.Zhu, Y.Wu, R.J.Owens, D.I.Stuart, B.Gao, J.Ren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.80
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	121.225, 121.225, 94.995, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 20.5

The structure of Crystal Structure of Mouse Rankl-Rank Complex also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Mouse Rankl-Rank Complex (pdb code 3me2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Mouse Rankl-Rank Complex, PDB code: 3me2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Mouse Rankl-Rank Complex


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 Mouse Rankl-Rank Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5 b:69.2 occ:1.00 N A:GLY203 3.0 47.5 1.0 CD1 A:LEU200 3.3 50.4 1.0 N A:TRP186 3.4 40.8 1.0 O A:SER184 3.6 47.9 1.0 CA A:SER185 3.7 42.0 1.0 N A:ASN202 3.7 54.0 1.0 CA A:ASN202 3.7 53.1 1.0 C A:ASN202 3.7 50.9 1.0 CA A:GLY203 3.8 45.7 1.0 O A:TRP186 3.9 42.0 1.0 CD2 A:LEU200 3.9 39.7 1.0 C A:SER185 4.0 40.7 1.0 O A:HOH27 4.0 56.5 1.0 C A:SER184 4.0 45.0 1.0 N A:SER185 4.1 41.9 1.0 CG A:LEU200 4.2 42.8 1.0 CD1 A:TRP186 4.2 35.3 1.0 CA A:TRP186 4.3 38.4 1.0 CB A:TRP186 4.4 37.7 1.0 C A:SER201 4.5 53.1 1.0 O A:HOH26 4.5 53.4 1.0 C A:TRP186 4.6 39.6 1.0 CG A:TRP186 4.7 36.4 1.0 CB A:SER185 4.8 42.5 1.0 OG A:SER185 4.8 50.4 1.0 O A:ASN202 4.9 52.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Mouse Rankl-Rank Complex


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 Mouse Rankl-Rank Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl6 b:52.6 occ:1.00 N A:ASP189 3.2 48.9 1.0 N A:HIS188 3.3 43.8 1.0 NE A:ARG190 3.4 41.1 1.0 ND1 A:HIS188 3.6 54.1 1.0 N A:ARG190 3.7 48.3 1.0 CB A:ASP189 3.7 57.3 1.0 CA A:TYR187 3.9 40.0 1.0 CA A:ASP189 3.9 52.6 1.0 CE1 A:HIS188 3.9 56.9 1.0 CB A:TYR187 3.9 39.0 1.0 C A:TYR187 4.1 41.3 1.0 NH2 A:ARG190 4.1 45.2 1.0 CG A:ARG190 4.1 40.3 1.0 C A:HIS188 4.2 46.9 1.0 CD2 A:TYR187 4.2 39.5 1.0 CZ A:ARG190 4.2 42.9 1.0 CD A:ARG190 4.2 39.8 1.0 CA A:HIS188 4.2 45.3 1.0 CG A:HIS188 4.3 52.7 1.0 C A:ASP189 4.3 52.2 1.0 CG A:TYR187 4.4 39.6 1.0 CB A:ARG190 4.6 43.8 1.0 NE2 A:HIS188 4.6 58.6 1.0 CA A:ARG190 4.8 44.6 1.0 CB A:HIS188 4.8 47.1 1.0 CD2 A:HIS188 4.9 55.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Mouse Rankl-Rank Complex


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 Mouse Rankl-Rank Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl7 b:42.7 occ:1.00 NZ R:LYS86 3.0 78.5 1.0 N A:LYS281 3.3 39.2 1.0 CD2 A:PHE280 3.8 33.7 1.0 CA A:PHE280 3.9 34.9 1.0 CB A:LYS281 4.0 42.4 1.0 CB A:PHE280 4.0 33.5 1.0 O A:LYS281 4.0 44.0 1.0 C A:PHE280 4.1 37.5 1.0 CA A:LYS281 4.1 41.0 1.0 CE R:LYS86 4.1 73.3 1.0 CG A:PHE280 4.4 33.1 1.0 C A:LYS281 4.6 41.3 1.0 CE2 A:PHE280 4.9 32.5 1.0 O A:PHE279 4.9 35.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Mouse Rankl-Rank Complex


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 Mouse Rankl-Rank Complex within 5.0Å range: probe atom residue distance (Å) B Occ R:Cl219 b:52.5 occ:1.00 N R:ARG111 3.2 52.7 1.0 N R:LYS91 3.2 44.4 1.0 NZ R:LYS91 3.4 58.5 1.0 CA R:HIS90 3.5 43.7 1.0 CD2 R:HIS90 3.7 48.9 1.0 CG R:LYS91 3.7 47.4 1.0 CB R:PRO110 3.8 55.3 1.0 CE2 R:TYR77 3.8 54.5 1.0 O R:ARG111 3.8 52.4 1.0 CA R:PRO110 3.8 55.1 1.0 C R:HIS90 3.9 44.5 1.0 CB R:ARG111 3.9 48.5 1.0 C R:PRO110 4.0 54.6 1.0 CA R:ARG111 4.0 51.5 1.0 CB R:HIS90 4.1 44.5 1.0 CE R:LYS91 4.1 54.8 1.0 CB R:LYS91 4.1 44.9 1.0 CG R:HIS90 4.2 47.5 1.0 OH R:TYR77 4.2 59.4 1.0 CZ R:TYR77 4.3 57.7 1.0 CA R:LYS91 4.3 44.7 1.0 C R:ARG111 4.4 52.3 1.0 CD R:LYS91 4.4 50.9 1.0 CD2 R:TYR77 4.5 54.7 1.0 O R:LEU89 4.6 46.6 1.0 N R:HIS90 4.7 43.3 1.0 NE2 R:HIS90 4.9 51.9 1.0

C.Liu, T.S.Walter, P.Huang, S.Zhang, X.Zhu, Y.Wu, L.R.Wedderburn, P.Tang, R.J.Owens, D.I.Stuart, J.Ren, B.Gao. Structural and Functional Insights of Rankl-Rank Interaction and Signaling. J.Immunol. 2010.
ISSN: ISSN 0022-1767
PubMed: 20483727
DOI: 10.4049/JIMMUNOL.0904033