Structure of PDB 8tqf Chain C Binding Site BS01

Receptor Information

>8tqf Chain C (length=472) Species: 3847 (Glycine max)

HMDPVSVWGNTPLATVDPEIHDLIEKEKRRQCRGIELIASENFTSFAVIE
ALGSALTNKYSEGMPGNRYYGGNEYIDQIENLCRSRALQAFHLDAQSWGV
NVQPYSGSPANFAAYTAVLNPHDRIMGLDLPSGGHLTHGYYTSGGKKISA
TSIYFESLPYKVNSTTGYIDYDRLEEKALDFRPKLIICGGSAYPRDWDYK
RFREVADKCGALLLCDMAHTSGLVAAQEVNSPFEYCDIVTTTTHKSLRGP
RAGMIFYRKGPKPPKKGQPENAVYDFEDKINFAVFPSLQGGPHNHQIGAL
AVALKQAASPGFKAYAKQVKANAVALGKYLMGKGYSLVTGGTENHLVLWD
LRPLGLTGNKVEKLCDLCNITVNKNAVFGDSSALAPGGVRIGAPAMTSRG
LVEKDFEQIGEFLHRAVTLTLEIQKEHGKLLKDFNKGLVNNKAIEDLKAD
VEKFSALFDMPGFLVSEMKYKD

Ligand information

• Ligand ID: PLG
• InChI: InChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)
• InChIKey: FEVQWBMNLWUBTF-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(CNCC(O)=O)c1O
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1CNCC(=O)O)C
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O
• Formula: C10 H15 N2 O7 P
• Name: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE];
  N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE
• DrugBank: DB02824
• ZINC: ZINC000002046831
• PDB chain: 8tqf Chain C Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8tqf Structural insights into high affinity binding of polyglutamylated tetrahydrofolate to soybean serine hydroxymethyltransferase
• Resolution: 1.69 Å
• Binding residue (original residue number in PDB): S39 S105 G106 S107 H134 G189 S190 D215 A217 H218 H243 K244 R389
• Binding residue (residue number reindexed from 1): S40 S106 G107 S108 H135 G190 S191 D216 A218 H219 H244 K245 R390
• Annotation score: 1

External links

• PDB: RCSB:8tqf, PDBe:8tqf, PDBj:8tqf
• PDBsum: 8tqf
• UniProt: A0A0R0IK90