2024-10-05_00000009|medium|8J4X

Structure of Mycobacterium tuberculosis NrdF2:NrdIcomplex (oxidised) determined at 3 angstrom resolution; X-ray diffraction 3.04Å

Protein #1 324 residues (88% resolved)

Raw Sequence ...

VTGNAKLIDRVSAINWNRLQDEKDAEVWDRLTGNFWLPEKVPVSNDIPSWGTLTAGEKQLTMRVFTGLTMLDTIQGTVGAVSLIPDALTPHEEAVLTNIAFMESVHAKSYSQIFSTLCSTAEIDDAFRWSEENRNLQRKAEIVLQYYRGDEPLKRKVASTLLESFLFYSGFYLPMYWSSRAKLTNTADMIRLIIRDEAVHGYYIGYKFQRGLALVDDVTRAELKDYTYELLFELYDNEVEYTQDLYDEVGLTEDVKKFLRYNANKALMNLGYEALFPRDETDVNPAILSALSPNADENHDFFSGSGSSYVIGKAVVTEDDDWDF

Canonical Sequence ...

Protein #2 150 residues (91% resolved)

Raw Sequence ...

MDIAGRSLVYFSSVSENTHRFVQKLGIPATRIPLHGRIEVDEPYVLILPTYGGGRANPGLDAGGYVPKQVIAFLNNDHNRAQLRGVIAAGNTNFGAEFCYAGDVVSRKCSVPYLYRFELMGTEDDVAAVRTGLAEFWKEQTCHQPSLQSL

Canonical Sequence ...

MDIAGRSLVYFSSVSENTHRFVQKLGIPATRIPLHGRIEVDEPYVLILPTYGGGRANPGLDAGGYVPKQVIAFLNNDHNRAQLRGVIAAGNTNFGAEFCYAGDVVSRKCSVPYLYRFELMGTEDDVAAVRTGLAEFWKEQTCHQPSLQSL

Non polymer #3 FMN

InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1

SMILES: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O

Non polymer #4 MN

InChI=1S/Mn/q+2

SMILES: [Mn+2]

[Mn+2]

Non polymer #5 OH

InChI=1S/H2O/h1H2/p-1

SMILES: [OH-]

[OH-]

Biounit #1 hetero-2-1-mer

Biounit #2 homo-dimer

Biounit #3 hetero-2-1-mer

Biounit #4 homo-dimer

Reference