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Table 4 List of 29 potential targets associated with 125 potential binders based on sequence identity

From: A curated C. difficile strain 630 metabolic network: prediction of essential targets and inhibitors

Target (pair)a Sequence identityb DrugBank potential inhibitorsc
E.coli Human
accC P24182 [53%] Q96RQ3 [48%] LZJ, LZK, LZL, OA1, OA2, OA3, OA4, OA5, L21, L22, L23 (P24182 [53%]); BTI (Q99UY8 [48%]); BTN (P11498 [45%]); D1L, H1L (O00763 [32%])
adk P69441 [52%] P54819-2 [45%] IPE (P30085 [32%])
crt1 M9BEQ1 [37%] P30084 [44%] QUE (Q6NVY1 [30%])
fabF P0A6Q6 [49%] Q9NWU1 [45%] CER, P9A, PMN (P0AAI5 [50%]); TL5, TL6, P4T (P0A953 [38%]); TLM (P63454 [37%])
fabH P0ACC7 [42%] - CER, 669, OCS (P0A6R0 [45%]); B82 (820 T1 [43%]); DCC, UDT, VZZ, D1T, DFD, MDX (P0A574 [37%])
fabZ P0ADG7 [36%] P20839 [35%] QUE, 2BC, 2BE, 2RB, 3BE, 4BB, 4BE, AGI, EMO, SAK (Q5G940 [41%]); BDE (O25928 [41%])
glmU P62617 [55%] - P21 (P43889 [42%])
guaB P14900 [32%] P20839 [35%] MOA, RBV, CPR, VX-148 (P20839 [35%])
ispA B1J028 [42%] Q5T2R2 [31%] IPR (Q83M58 [41%])
ispH M8X9N5 [30%] - DMA, IPE (P62624 [30%])
ispF P0AD61 [51%] P14618-2 [44%] FPP (Q8EBR3 [62%]); GPP (P62617 [55%]); IPP (A0R559 [34%])
murD P0A858 [44%] P60174-1 [44%] LK1, LK2, LK3, LK4, LKM (P14900 [32%]);
ntpA - P38606 [51%] ADH, 911, Tiludronate, BafilomycinA1, Bafilomycin B1 (P38606, [51%]); QUE, APP, AUR, PIT, TLX (P06576 [30%])
ntpB - P21281 [53%] Gallium nitrate, AES (P21281 [53%]); QUE, APP, AUR, PIT, TLX (P06576 [30%])
pykF A0A029KL96 [52%] P14618-2 [44%] D8G, DYY, DZG, PGA (P14618 [44%])
deoD (deoB, deoC) L3ICZ2 [46%] P00491 [48%] IMH, 2DI, AZG, 9PP, IMG, GU7, BC3, 9DI (P00491 [48%])
fabG (CD2577) P33898 [61%] P04406 [44%] EMO (P16544 [37%]); TAQ, CB3, DVP, FE1 (P0CG22 [34%]); MAX (Q6PKH6 [33%]); TDB (Q16698 [31%])
CD2577 (fabG) N3Z8L0 [36%] Q92506 [33%] TCL, IDN, AYM, BGC, 654, ZAM, 826, NDT, (P0AEK4 [39%]); NAP, TDB (Q16698 [30%])
gapA (gapB) P0A9B2 [52%] O14556 [47%] BRZ, NMD, TND (O14556 [44%]); AES (P04406 [49%])
gapB (gapA) P25526 [35%] P00352 [35%] APR, SND, AES (P04406 [49%]); BRZ, NMD, TND (O14556 [47%])
uppS (CD2762) P0A825 [56%] P34897-3 [45%] B08, B28, B29, B76, FPP, FPS, IPE (P60472 [44%]); GPP (P60379 [43%])
glyA (CD2834) P0A825 [48%] P34897-3 [41%] PLP, THL (P34897 [45%]); Mimosine (P34896 [44%])
CD2834 (glyA) - B7ZLW7 [31%] PLP, THL (P34897 [41%]); Mimosine (Pr4896 [40%])
CD0727 (folD | fhs | fchA)d P24182 [53%] Q96RQ3 [48%] CNC, THL, I2A (Q99707 [31%])
scoB (folD | fhs | fchA)d E9YQ86 [56%] B7Z609 [51%] SIN, EMT (P55809 [52%])
scoA (folD | fhs | fchA)d G1YD51 [53%] Q6IAV5 [42%] SIN, EMT (P55809 [42%])
CD3231 (hpt) W1H7G6 [47%] Q9NRG1 [33%] DX4, PPO, PM6, PRP, XMP, 9DG (P00492 [34%])
hpt (CD3231) W1H7G6 [55%] P00492 [34%] DX4, PPO, PM6, PRP, XMP, 9DG (P00492 [34%])
aldh (CD2733) - P51648 [43%] RLT, 1O8, DTT (P00352 [30%]);
  1. aGenes that are essential as part of a double mutant pair have the name of the partner gene identified in parenthesis.
  2. bUniprot ID of the closest sequence homolog.
  3. c3-letter PDB code of ligand that is a known inhibitor or binder of a sequence homolog with the Uniprot ID and the level of sequence identity given in parenthesis. Approved drugs are in italics.
  4. dThe target gene is part of more than one essential pairs, one with each of the proteins in parenthesis.