Chlorine in PDB 6ely: Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution

The structure of Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution, PDB code: 6ely was solved by M.S.Ahmad, S.Rasheed, S.Falke, B.Khaliq, M.Perbandt, M.I.Choudhary, W.T.Markiewicz, J.Barciszewski, C.Betzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.50 / 2.84
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.677, 106.677, 312.569, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 21.8

The binding sites of Chlorine atom in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution (pdb code 6ely). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution, PDB code: 6ely:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution


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 Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:66.7 occ:1.00 N A:ASP211 3.6 38.3 1.0 OG B:SER6 3.7 80.5 1.0 O A:SER209 3.9 41.7 1.0 CA A:THR210 4.1 38.5 1.0 OG1 B:THR4 4.2 61.1 1.0 CG2 B:THR4 4.4 72.8 1.0 C A:THR210 4.4 38.3 1.0 CA A:ASP211 4.6 38.8 1.0 OD1 A:ASP211 4.7 52.3 1.0 CB B:THR4 4.7 74.1 1.0 C A:SER209 4.7 40.7 1.0 CB B:SER6 4.8 83.4 1.0 N A:THR210 4.9 39.5 1.0 CG2 A:THR210 5.0 43.2 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution


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 Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:52.8 occ:1.00 NH2 A:ARG150 3.7 60.9 1.0 O A:HOH421 4.0 35.3 1.0 CD2 A:HIS124 4.3 34.9 1.0 NE2 A:HIS124 4.6 38.0 1.0 CZ A:ARG150 4.7 59.1 1.0 NH1 A:ARG150 4.7 65.1 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution


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 Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:63.6 occ:1.00 CB A:MET192 3.2 49.6 1.0 SD A:MET192 3.4 64.8 1.0 OD1 A:ASP189 3.6 51.7 1.0 CD A:ARG175 3.7 49.3 1.0 CG A:MET192 3.8 58.8 1.0 O A:PRO171 3.9 32.4 1.0 CB A:ARG175 4.0 34.7 1.0 CG A:ARG175 4.1 38.3 1.0 CG A:ASP189 4.2 43.4 1.0 OD2 A:ASP189 4.2 46.1 1.0 NE A:ARG175 4.3 65.0 1.0 CA A:MET192 4.3 40.2 1.0 C A:PRO171 4.5 31.9 1.0 O3 B:GOL311 4.5 59.1 1.0 N A:MET192 4.7 37.1 1.0 CB A:PRO171 4.9 31.6 1.0 CA A:ILE172 4.9 31.7 1.0 N A:ILE172 4.9 31.1 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution


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 Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:61.4 occ:1.00 CG2 A:VAL9 3.7 37.5 1.0 CD A:ARG7 4.1 75.7 1.0 CB A:GLN11 4.1 56.4 1.0 NE2 A:GLN11 4.3 69.3 1.0 CG1 A:VAL9 4.5 36.9 1.0 CB A:VAL9 4.5 37.2 1.0 CG A:GLN11 4.8 61.2 1.0 CG A:ARG7 4.9 75.3 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution


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 Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:47.8 occ:1.00 CG A:ARG150 4.2 43.5 1.0 NE A:ARG150 4.4 56.1 1.0 NH1 A:ARG154 4.5 53.1 1.0 CZ A:ARG154 4.8 58.8 1.0 CD A:ARG150 4.8 50.6 1.0 NH2 A:ARG154 4.9 63.2 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution


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 Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:69.9 occ:1.00 N B:GLY158 3.4 53.0 1.0 CA B:GLY158 3.9 48.5 1.0 C B:GLY157 4.4 58.0 1.0 CA B:GLY157 4.7 58.6 1.0 C B:GLY158 4.8 48.1 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution


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 Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl308 b:58.9 occ:1.00 O B:GLN188 3.9 38.8 1.0 OH B:TYR177 3.9 33.4 1.0 NH1 B:ARG183 4.3 33.6 1.0 O B:ASN18 4.4 30.6 1.0 C B:GLN188 4.6 37.4 1.0 CZ B:TYR177 4.7 33.0 1.0 CB B:GLN188 4.8 34.5 1.0 CE2 B:TYR177 4.8 33.9 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution


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 Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl309 b:68.9 occ:1.00 N B:GLU170 3.5 52.4 1.0 CG B:GLU170 3.6 50.7 1.0 CB B:GLU170 3.7 50.5 1.0 CA B:GLU170 4.2 49.9 1.0 O B:GLY168 4.3 66.8 1.0 CA B:GLN169 4.3 55.5 1.0 C B:GLN169 4.4 55.4 1.0 CG B:GLN169 4.9 53.4 1.0

M.S.Ahmad, S.Rasheed, S.Falke, B.Khaliq, M.Perbandt, M.I.Choudhary, W.T.Markiewicz, J.Barciszewski, C.Betzel. Crystal Structure of Mistletoe Lectin I (Ml-I) From Viscum Album in Complex with 4-N-Furfurylcytosine at 2.85 Angstrom Resolution. Med Chem V. 14 754 2018.
ISSN: ISSN 1875-6638
PubMed: 29792147
DOI: 10.2174/1573406414666180524095946