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Ligand · OTA

OTA · 2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid

OTA, 2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid (C10 H10 N2 O5 S, 270.3 g/mol), in the MolNFT structures on GenesisL1: bound in 22 records (14 PDB entries). Every binding site with its residues within 4.5…

Component
OTA
Formula
C10 H10 N2 O5 S
Class
ligand
Structures
22
PDB entries
14

Binding sites

OTA in 22 structures; the first of them:

  • 5K9W · Protein Tyrosine Phosphatase 1B (1-301) in complex with TCS401, closed state · OTA A402 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 5KA1 · Protein Tyrosine Phosphatase 1B Delta helix 7 mutant in complex with TCS401, closed state · OTA A301 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 5KA3 · Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant in complex with TCS401, closed… · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 5KA7 · Protein Tyrosine Phosphatase 1B T178A mutant in complex with TCS401, closed state · OTA A303 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 5KA9 · Protein Tyrosine Phosphatase 1B L192A mutant in complex with TCS401, open state · OTA A307 · binds TYR46, ASP48, VAL49, LYS120, CYS215, SER216, ALA217, ILE219 and 3 more
  • 5KAB · Protein Tyrosine Phosphatase 1B Delta helix 7, P185G mutant in complex with TCS401, open… · OTA A306 · binds TYR46, ASP48, VAL49, LYS120, CYS215, SER216, ALA217, ILE219 and 3 more
  • 5KAD · Protein Tyrosine Phosphatase 1B N193A mutant in complex with TCS401, closed state · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 7MM1 · PTP1B in complex with TCS401 by Native S-SAD at Room Temperature · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 7MNB · PTP1B F225Y-R199N-L195R in complex with TCS401 · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 5K9W · Protein tyrosine phosphatase 1B (1-301) in complex with TCS401, closed state · OTA A402 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 5KA1 · Protein tyrosine phosphatase 1B delta helix 7 mutant in complex with TCS401, closed state · OTA A301 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 5KA3 · Protein tyrosine phosphatase 1B yaya (Y152A, Y153A) mutant in complex with TCS401, closed… · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 5KA7 · Protein tyrosine phosphatase 1B T178A mutant in complex with TCS401, closed state · OTA A303 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 5KA9 · Protein tyrosine phosphatase 1B L192A mutant in complex with TCS401, open state · OTA A307 · binds TYR46, ASP48, VAL49, LYS120, CYS215, SER216, ALA217, ILE219 and 3 more
  • 5KAB · Protein tyrosine phosphatase 1B delta helix 7, P185G mutant in complex with TCS401, open… · OTA A306 · binds TYR46, ASP48, VAL49, LYS120, CYS215, SER216, ALA217, ILE219 and 3 more
  • 5KAD · Protein tyrosine phosphatase 1B N193A mutant in complex with TCS401, closed state · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 7MM1 · PTP1B in complex with TCS401 by native S-sad at room temperature · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 7MN7 · PTP1B F225Y in complex with TCS401 · OTA A409 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 7MNA · PTP1B 1-284 F225Y-R199N in complex with TCS401 · OTA A301 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 7MNB · PTP1B F225Y-R199N-L195R in complex with TCS401 · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 7MND · PTP1B L204A in complex with TCS401 · OTA A402 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more
  • 7MNF · PTP1B P206G in complex with TCS401 · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, CYS215, SER216, ALA217, GLY218 and 4 more
  • 7MOW · PTP1B F225I in complex with TCS401 · OTA A401 · binds TYR46, ASP48, VAL49, LYS120, ASP181, PHE182, CYS215, SER216 and 5 more

Residues it binds most

ASP 25, GLY 25, ALA 25, ARG 25, CYS 25, GLN 25, ILE 25, LYS 25, SER 25, TYR 25 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • DMS · Dimethyl sulfoxide

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