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Ligand · D12

D12 · Dodecane

D12, Dodecane (C12 H26, 170.3 g/mol), in the MolNFT structures on GenesisL1: bound in 109 records (90 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
D12
Formula
C12 H26
Class
ligand
Structures
109
PDB entries
90

Binding sites

D12 in 109 structures; the first of them:

  • 5H1Z · CYP153D17 from Sphingomonas sp. PAMC 26605 · D12 A502 · binds THR74, MET90, ALA175, ARG190, LEU241, GLY245, LEU292, PHE393
  • 5I74 · X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at… · D12 A703 · binds ARG104, PHE335, GLU493, GLU494, GLY498, PRO499, LEU502, ILE552 and 1 more
  • 5IO6 · Bovine beta-lactoglobulin complex with dodecane, ambient pressure · D12 A201 · binds LEU46, LEU54, ILE56, LEU58, ILE71, ILE84, VAL92, VAL94 and 2 more
  • 5L47 · X-ray structure of the 2-22' locally-closed mutant of GLIC in complex with… · D12 D401 · binds ILE233, ILE240, ILE233, ILE240, ILE233, ILE240, ILE233, ILE240 and 2 more
  • 5MZQ · X-ray structure of the M205W mutant of GLIC in complex with bromoform · D12 A404 · binds LEU206
  • 6CSX · Single particles Cryo-EM structure of AcrB D407A associated with lipid bilayer at 3.0… · D12 B1108 · binds VAL382, PHE386, VAL454, ALA457, ILE472, VAL475
  • 6GUX · Dark-adapted structure of Archaerhodopsin-3 at 100K · D12 A307 · binds ILE156, TYR160, PHE161
  • 6HJA · Xray structure of GLIC in complex with glutarate · D12 A406
  • 6LPK · A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K · D12 A2406 · binds THR65
  • 6LPL · A2AR crystallized in EROCOC17+4, SS-ROX at 100 K · D12 A2406 · binds THR65
  • 6NWD · X-ray Crystallographic structure of Gloeobacter rhodopsin · D12 A1306 · binds PHE53, SER82, TYR86, PHE89, ARG90
  • 6NWR · Thioester acyl-intermediate of Apolipoprotein N-acyltransferase (Lnt) · D12 B603 · binds GLY140, TRP141, ASN488
  • 6W83 · K2P2.1 (TREK-1), 100 mM K+ · D12 A403 · binds VAL53, LEU296, ALA300, THR303
  • 6ZOC · Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin… · D12 A1210 · binds TRP895, ILE10, TRP13, ILE17
  • 6ZOG · Minocycline binding to the deep binding pocket of AcrB-I38F_I671T · D12 C1301 · binds TRP895, TRP13
  • 7LI8 · apo serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in inward… · D12 A903 · binds PHE191
  • 7MX4 · CD1c with antigen analogue 1 · D12 A303 · binds TYR73, LEU77, ILE81, LYS91, PHE94, VAL96, PHE114, VAL116 and 6 more
  • 7MXH · CD1c with antigen analogue 3 · D12 A303 · binds TYR73, LEU77, ILE81, PHE94, VAL96, PHE114, VAL116, PHE118 and 5 more
  • 7PGH · NaVAe1/Sp1CTDp (DDM) · D12 A301 · binds PHE191

Residues it binds most

ILE 170, PHE 142, LEU 132, ALA 85, VAL 65, TRP 62, TYR 56, THR 47, SER 40, GLY 39 (residue and the binding sites it lines).

Found with

  • D10 · Decane
  • OCT · N-octane
  • HEX · Hexane
  • R16 · Hexadecane
  • CL · Chloride ion
  • LMT · Dodecyl-beta-D-maltoside
  • PTY · Phosphatidylethanolamine
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • C14 · Tetradecane
  • GOL · Glycerol
  • LNK · Pentane
  • NA · Sodium ion

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