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Ligand · A1ADT

A1ADT · {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron

A1ADT, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~2…

Component
A1ADT
Formula
C34 H32 Fe N4 O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1ADT in 2 structures; the first of them:

  • 8VSH · Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant… · A1ADT A201 · binds VAL30, ARG33, TYR34, SER37, ARG41, VAL42, MET45, VAL46 and 16 more
  • 8W3A · Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant… · A1ADT A202 · binds VAL30, ARG33, TYR34, SER37, ARG41, VAL42, MET45, VAL46 and 16 more

Residues it binds most

VAL 8, ILE 8, MET 8, TYR 8, ALA 8, ARG 8, GLU 8, GLY 8, HIS 8, LEU 8 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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