Chlorine in PDB 4kn2: Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed

The structure of Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed, PDB code: 4kn2 was solved by A.S.Wibowo, C.E.Dann Iii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.72 / 2.60
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.443, 97.443, 348.105, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.4

The structure of Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Chlorine atom in the Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed (pdb code 4kn2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed, PDB code: 4kn2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:55.9 occ:1.00 O B:HOH424 3.4 45.1 1.0 NH2 A:ARG92 3.7 41.5 1.0 NH2 A:ARG135 3.7 49.3 1.0 NH1 A:ARG92 3.8 42.3 1.0 CZ A:ARG92 4.2 40.9 1.0 CB B:CYS169 4.8 38.4 1.0 O B:CYS169 4.9 38.0 1.0 CZ A:ARG135 5.0 48.2 1.0

Chlorine binding site 2 out of 3 in the Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:64.2 occ:1.00 NH2 B:ARG135 3.8 50.2 1.0 NH1 B:ARG92 3.8 40.0 1.0 NH2 B:ARG92 3.9 42.5 1.0 CZ B:ARG92 4.3 43.1 1.0 CZ B:ARG135 5.0 48.3 1.0

Chlorine binding site 3 out of 3 in the Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Folate Receptor Beta (FOLR2) in Complex with Antifolate Pemetrexed within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:76.6 occ:1.00 NH2 C:ARG135 3.3 54.0 1.0 NH1 C:ARG92 3.7 42.6 1.0 NH2 C:ARG92 3.8 40.5 1.0 CZ C:ARG92 4.2 43.4 1.0 CZ C:ARG135 4.5 50.5 1.0

A.S.Wibowo, M.Singh, K.M.Reeder, J.J.Carter, A.R.Kovach, W.Meng, M.Ratnam, F.Zhang, C.E.Dann. Structures of Human Folate Receptors Reveal Biological Trafficking States and Diversity in Folate and Antifolate Recognition. Proc.Natl.Acad.Sci.Usa V. 110 15180 2013.
ISSN: ISSN 0027-8424
PubMed: 23934049
DOI: 10.1073/PNAS.1308827110