Ligand · TB0

TB0 · tert-butyl isocyanide

TB0, tert-butyl isocyanide (C5 H9 N, 83.1 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component: TB0
Formula: C5 H9 N
Class: ligand
Structures: 10
PDB entries: 5

Binding sites

TB0 in 10 structures; the first of them:

2ZPE · nitrosylated Fe-type nitrile hydratase with tert-butylisonitrile · TB0 B1302 · binds GLN90, CSD112, SER113, TRP117, TYR37, MET40, VAL52, VAL55 and 3 more
2ZPF · Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 18min… · TB0 B1302 · binds GLN90, CSD112, SER113, TRP117, TYR37, MET40, VAL52, VAL55 and 3 more
2ZPG · Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for… · TB0 A301 · binds GLN90, CYS109, CSD112, SER113, CSO114, TRP117, TYR37, VAL52 and 3 more
2ZPH · Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for… · TB0 A301 · binds GLN90, CYS109, CSD112, SER113, CSO114, TRP117, TYR37, MET40 and 4 more
2ZPI · Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for… · TB0 A301 · binds GLN90, CYS109, CSD112, SER113, CSO114, TRP117, TYR37, MET40 and 4 more
2ZPE · Nitrosylated fe-type nitrile hydratase with tert- butylisonitrile · TB0 B1302 · binds GLN90, CSD112, SER113, TRP117, TYR37, MET40, VAL52, VAL55 and 3 more
2ZPF · Complex of fe-type nitrile hydratase with tert- butylisonitrile, photo-activated for… · TB0 B1302 · binds GLN90, CSD112, SER113, TRP117, TYR37, MET40, VAL52, VAL55 and 3 more
2ZPG · Complex of fe-type nitrile hydratase with tert- butylisonitrile, photo-activated for… · TB0 A301 · binds GLN90, CYS109, CSD112, SER113, CSO114, TRP117, TYR37, VAL52 and 3 more
2ZPH · Complex of fe-type nitrile hydratase with tert- butylisonitrile, photo-activated for… · TB0 A301 · binds GLN90, CYS109, CSD112, SER113, CSO114, TRP117, TYR37, MET40 and 4 more
2ZPI · Complex of fe-type nitrile hydratase with tert- butylisonitrile, photo-activated for… · TB0 A301 · binds GLN90, CYS109, CSD112, SER113, CSO114, TRP117, TYR37, MET40 and 4 more

Residues it binds most

TYR 10, VAL 10, ARG 10, CSD 10, GLN 10, SER 10, TRP 10, MET 8, CSO 6, CYS 6 (residue and the binding sites it lines).

Found with

FE · Fe (III) ion
MG · Magnesium ion
NO · Nitric oxide
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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