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Ligand · SE

SE · Selenium atom

SE, Selenium atom (Se, 79.0 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (10 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
SE
Formula
Se
Class
ion
Structures
12
PDB entries
10

Binding sites

SE in 12 structures; the first of them:

  • 5BVG · Selenium incorporated nitrogenase MoFe-protein (Av1-Se2B) from A. vinelandii · SE B605 · binds ARG93, THR104, MET112, ASN65, TRP428, PHE450, ARG453
  • 5FF4 · HydE from T. maritima in complex with (2R,4R)-TMeTDA · SE A410 · binds GLU139, TRP140, TYR145, ASN179, CYS183
  • 6OP3 · Selenium incorporated FeMo-cofactor of nitrogenase from Azotobacter vinelandii with low… · SE A505 · binds VAL70, GLN191, HIS195, PHE381
  • 7BAK · Crystal structure of SARS-CoV-2 main protease treated with ebselen · SE A401 · binds LEU27, HIS41, CYS145, HIS164
  • 7T8G · G93A mutant of human SOD1 bound with MR6-8-2 in P21 space group · SE F204 · binds LEU106, CYS111, ILE113
  • 7XMW · Crystal structure of anti-CRISPR protein AcrVIA2 · SE Z7
  • 7ZCY · Sporosarcina pasteurii urease (SPU) co-crystallized in the presence of an… · SE C624 · binds CYS322
  • 8YD7 · Structure of FADD/Caspase-8/cFLIP death effector domain assembly · SE G201 · binds SER2, VAL5, ARG45, LEU50, LEU55
  • 6OP2 · Selenium incorporated femo-cofactor of nitrogenase from azotobacter vinelandii at high… · SE A505 · binds VAL70, HIS195, PHE381
  • 6OP3 · Selenium incorporated femo-cofactor of nitrogenase from azotobacter vinelandii with low… · SE A505 · binds VAL70, HIS195, PHE381
  • 7BAK · Crystal structure of SARS-cov-2 main protease treated with ebselen · SE A401 · binds HIS41, CYS145, HIS164
  • 7BAL · Crystal structure of SARS-cov-2 main protease treated with ebselen derivative of MR6-31-2 · SE A401 · binds HIS41, CYS145, HIS164

Residues it binds most

HIS 9, CYS 8, PHE 8, VAL 7, ARG 4, LEU 3, TRP 4, ASN 3, GLN 2, MET 2 (residue and the binding sites it lines).

Found with

  • CLF · FE(8)-S(7) cluster
  • HCA · 3-hydroxy-3-carboxy-adipic acid
  • IMD · Imidazole
  • ICS · iron-sulfur-molybdenum cluster with interstitial carbon
  • CA · Calcium ion
  • MG · Magnesium ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • 5ZZ · (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate
  • ICG · iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated

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