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Table 3 Structural classification of known resistance-associated and novel predictive variants

From: Machine learning and phylogenetic analysis allow for predicting antibiotic resistance in M. tuberculosis

Variant ID

Gene

Mutation

Uniprot ID

RIN-based simple classification

Observed resistance to

Reported resistance to

Known resistance-associated mutations

    (7570, ’C,T’, ’snp’)

gyrA

A90V

P9WG47

Ligand interaction

OFL, ETH

FQ [53, 54]

    (7362, ’G,C’, ’snp’)

gyrA

E21Q

P9WG47

Protein interaction

OFL

FQ [53, 54]

    (781687, ’A,G’, ’snp’)

rpsL

K43R

P9WH63

RNA interaction

STR

STR [53, 54]

    (2154724, ’C,A’, ’snp’)

katG

R463L

P9WIE5

Surface

STR

INH, PTO [53, 54]

Previously unreported variants

    (781395, ’T,C’, ’snp’)

rpsL

T-164C

P9WH63

-

STR

-

    (906857, ’A,G’, ’snp’)

pabC

I145M

Q79FW0

Protein interaction

ETH

-

Previously unreported variants with no structural templates (AlphaFold [56] models used)

    (1670814, ’C,T’, ’snp’)

DUF58

G134G

A0A7U4G1E6

Core

ETH

-