Calcium in PDB 6qvl: Human SHMT2 in Complex with Pemetrexed

All present enzymatic activity of Human SHMT2 in Complex with Pemetrexed:
2.1.2.1;

The structure of Human SHMT2 in Complex with Pemetrexed, PDB code: 6qvl was solved by E.Scaletti, A.S.Jemth, T.Helleday, P.Stenmark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.63 / 2.28
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	160.208, 160.208, 209.442, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 25.9

The binding sites of Calcium atom in the Human SHMT2 in Complex with Pemetrexed (pdb code 6qvl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Human SHMT2 in Complex with Pemetrexed, PDB code: 6qvl:

Calcium binding site 1 out of 1 in the Human SHMT2 in Complex with Pemetrexed


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human SHMT2 in Complex with Pemetrexed within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca604 b:64.3 occ:1.00 C A:ILE264 3.6 22.7 1.0 N A:PRO265 3.8 22.2 1.0 CA A:ILE264 3.9 22.9 1.0 O A:ILE264 3.9 22.7 1.0 O A:LYS262 3.9 34.1 1.0 N A:ILE264 4.0 23.5 1.0 C A:VAL263 4.1 25.0 1.0 CD A:PRO265 4.2 22.8 1.0 O A:VAL263 4.3 24.7 1.0 CA A:PRO265 4.3 22.6 1.0 C A:LYS262 4.5 30.2 1.0 CG A:PRO265 4.5 22.2 1.0 CA A:VAL263 4.8 26.2 1.0 N A:VAL263 4.9 27.1 1.0

E.Scaletti, A.S.Jemth, T.Helleday, P.Stenmark. Structural Basis of Inhibition of the Human Serine Hydroxymethyltransferase SHMT2 By Antifolate Drugs. Febs Lett. V. 593 1863 2019.
ISSN: ISSN 0014-5793
PubMed: 31127856
DOI: 10.1002/1873-3468.13455