2024-07-06_00000355|ligand|9BUL

The structure of NiaR from Thermotoga maritima bound to nicotinic acid; X-ray diffraction 2.10Å
Protein #1 175 residues (96% resolved)

MHMKTVRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNIVATPRGYVLAGGKSGVSRLVAVKHAPEEIKEELLCVVRNGGRIVDVIVEHPVYGEIRGIIDVSSEEEVLKFVNLMEMAKTEPLLTLSGGVHLHTIEAPDEETMERIMRELKKKGFLIEEG

MHMKTVRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNIVATPRGYVLAGGKSGVSRLVAVKHAPEEIKEELLCVVRNGGRIVDVIVEHPVYGEIRGIIDVSSEEEVLKFVNLMEMAKTEPLLTLSGGVHLHTIEAPDEETMERIMRELKKKGFLIEEG
Non polymer #2 FE2

InChI=1S/Fe/q+2

[Fe+2]
Non polymer #3 NIO

InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)

c1cc(cnc1)C(=O)O
Non polymer #4 PRO

InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1

C1C[C@H](NC1)C(=O)O
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Reference