Chlorine in PDB 3wmq: Crystal Structure of the Complex Between Sll-2 and Galnac.

The structure of Crystal Structure of the Complex Between Sll-2 and Galnac., PDB code: 3wmq was solved by A.Kita, M.Jimbo, R.Sakai, Y.Morimoto, R.Takeuchi, H.Tanaka, T.Takahashi, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.02 / 1.60
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	154.246, 154.246, 154.246, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 22.2

The structure of Crystal Structure of the Complex Between Sll-2 and Galnac. also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Complex Between Sll-2 and Galnac. (pdb code 3wmq). 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 the Complex Between Sll-2 and Galnac., PDB code: 3wmq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Complex Between Sll-2 and Galnac.


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 the Complex Between Sll-2 and Galnac. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1006 b:12.3 occ:1.00 OG1 A:THR80 3.0 10.9 1.0 NH2 A:ARG58 3.2 8.8 1.0 N A:ASN56 3.3 8.7 1.0 OD1 A:ASN55 3.6 15.7 1.0 CG A:ASN56 3.6 9.2 1.0 CB A:ASN55 3.7 9.9 1.0 OD1 A:ASN56 3.7 9.7 1.0 NH1 A:ARG58 3.8 7.4 1.0 CA A:ASN55 3.9 8.5 1.0 CB A:ASN56 3.9 9.2 1.0 CZ A:ARG58 4.0 8.3 1.0 C5 A:MPD1004 4.0 22.4 1.0 ND2 A:ASN56 4.0 8.9 1.0 C A:ASN55 4.1 8.3 1.0 CG A:ASN55 4.1 11.2 1.0 CA A:ASN56 4.2 8.1 1.0 CB A:THR80 4.3 10.5 1.0 O A:HOH1162 4.6 31.5 1.0 CD2 A:TYR79 4.8 9.6 1.0 CG2 A:THR80 4.9 13.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Complex Between Sll-2 and Galnac.


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 the Complex Between Sll-2 and Galnac. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:34.9 occ:1.00 NH1 A:ARG7 3.3 25.7 1.0 N A:GLU37 3.4 34.7 1.0 CD A:ARG7 3.4 22.5 1.0 CG A:GLU37 3.5 40.7 1.0 CA A:PHE36 3.8 33.4 1.0 C A:PHE36 4.0 34.0 1.0 CB A:GLU37 4.0 37.5 1.0 O A:PRO35 4.2 36.0 1.0 CZ A:ARG7 4.2 24.3 1.0 CA A:GLU37 4.3 35.9 1.0 NE A:ARG7 4.3 23.7 1.0 CB A:ARG7 4.5 20.8 1.0 OD2 A:ASP94 4.5 27.4 1.0 CD2 A:PHE36 4.5 27.6 1.0 CG A:ARG7 4.6 21.0 1.0 CB A:PHE36 4.6 31.1 1.0 CG A:PHE36 4.7 28.9 1.0 N A:PHE36 4.8 34.3 1.0 CD A:GLU37 4.9 42.8 1.0 C A:PRO35 4.9 36.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Complex Between Sll-2 and Galnac.


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 the Complex Between Sll-2 and Galnac. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1008 b:24.1 occ:1.00 N2 A:NAG1001 3.2 14.3 1.0 O A:HOH1124 3.5 26.6 1.0 C3 A:NAG1001 3.9 17.4 1.0 C8 A:NAG1001 4.0 14.2 1.0 C7 A:NAG1001 4.1 13.6 1.0 C2 A:NAG1001 4.1 15.3 1.0 O3 A:NAG1001 4.2 19.8 1.0 OD1 A:ASN60 4.6 10.8 1.0 C1 A:NAG1001 4.6 14.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Complex Between Sll-2 and Galnac.


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 the Complex Between Sll-2 and Galnac. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1009 b:28.8 occ:1.00 NE1 A:TRP18 3.2 16.0 1.0 O A:HOH1157 3.4 27.5 1.0 CE2 A:TRP18 4.1 14.5 1.0 CD1 A:TRP18 4.2 14.4 1.0 CZ2 A:TRP18 4.3 16.4 1.0

A.Kita, M.Jimbo, R.Sakai, Y.Morimoto, R.Takeuchi, H.Tanaka, T.Takahashi, K.Miki. Crystal Structure of A Symbiosis Related Lectin: A Structural Implication of Cell Recognition Between the Symbiotic Algae and the Host Coral. To Be Published.