SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5bs5'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
None
1.18A 1hvyA-5bs5A:
undetectable
1hvyA-5bs5A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
None
1.18A 1hvyB-5bs5A:
undetectable
1hvyB-5bs5A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
None
1.12A 1hvyD-5bs5A:
undetectable
1hvyD-5bs5A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IGX_A_EPAA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 PHE A 343
ALA A 482
SER A 486
GLY A 487
LEU A 412
None
1.11A 1igxA-5bs5A:
undetectable
1igxA-5bs5A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_B_SAMB301_0
(HEMK PROTEIN)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 PHE A 698
GLY A 724
GLY A 700
ILE A 317
PRO A 696
None
1.04A 1nv8B-5bs5A:
undetectable
1nv8B-5bs5A:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OIP_A_VIVA1278_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 583
ILE A 711
ILE A 685
LEU A 669
ILE A 637
None
1.00A 1oipA-5bs5A:
undetectable
1oipA-5bs5A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 10 GLY A 388
VAL A 389
GLY A 390
MET A 391
THR A 351
None
1.24A 1v3qE-5bs5A:
undetectable
1v3qE-5bs5A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VQ1_B_SAMB301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 PHE A 698
GLY A 724
GLY A 700
ILE A 317
PRO A 696
None
1.00A 1vq1B-5bs5A:
undetectable
1vq1B-5bs5A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 10 LEU A 537
LEU A 493
SER A 530
LEU A 531
ARG A 516
None
1.39A 2ceoB-5bs5A:
undetectable
2ceoB-5bs5A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7P_A_SALA1001_1
(LYSR-TYPE REGULATORY
PROTEIN)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 6 MET A 426
SER A 414
ARG A 411
GLY A 407
None
1.49A 2y7pA-5bs5A:
undetectable
2y7pA-5bs5A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G2O_A_SAMA500_0
(PCZA361.24)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 GLY A 572
LEU A 568
MET A 555
GLY A 579
GLU A 631
None
1.09A 3g2oA-5bs5A:
undetectable
3g2oA-5bs5A:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GV1_B_BEZB303_0
(DISULFIDE
INTERCHANGE PROTEIN)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 4 LEU A 635
ALA A 628
VAL A 625
PRO A 621
None
1.13A 3gv1B-5bs5A:
undetectable
3gv1B-5bs5A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 10 LEU A 477
SER A 481
ILE A 488
SER A 414
GLY A 487
None
1.28A 3ijxB-5bs5A:
undetectable
3ijxD-5bs5A:
undetectable
3ijxB-5bs5A:
22.19
3ijxD-5bs5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK6_B_HCZB262_1
(GLUTAMATE RECEPTOR 2)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 10 ILE A 488
SER A 414
GLY A 487
LEU A 477
SER A 481
None
1.26A 3ik6B-5bs5A:
undetectable
3ik6E-5bs5A:
undetectable
3ik6B-5bs5A:
22.19
3ik6E-5bs5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK6_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 10 LEU A 477
SER A 481
ILE A 488
SER A 414
GLY A 487
None
1.38A 3ik6B-5bs5A:
undetectable
3ik6E-5bs5A:
undetectable
3ik6B-5bs5A:
22.19
3ik6E-5bs5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ILU_B_HFZB800_1
(GLUTAMATE RECEPTOR 2)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 10 LEU A 477
SER A 481
ILE A 488
SER A 414
GLY A 487
None
1.43A 3iluB-5bs5A:
undetectable
3iluE-5bs5A:
undetectable
3iluB-5bs5A:
22.19
3iluE-5bs5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ILU_E_HFZE800_1
(GLUTAMATE RECEPTOR 2)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 11 ILE A 488
SER A 414
GLY A 487
LEU A 477
SER A 481
None
1.37A 3iluB-5bs5A:
undetectable
3iluE-5bs5A:
undetectable
3iluB-5bs5A:
22.19
3iluE-5bs5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_A_CAMA423_0
(CYTOCHROME P450)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 10 THR A 365
GLY A 344
THR A 351
VAL A 384
VAL A 353
None
1.19A 3lxiA-5bs5A:
undetectable
3lxiA-5bs5A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_B_CAMB423_0
(CYTOCHROME P450)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 11 THR A 365
GLY A 344
THR A 351
VAL A 384
VAL A 353
None
1.16A 3lxiB-5bs5A:
undetectable
3lxiB-5bs5A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 MET A 587
LEU A 615
CYH A 641
ILE A 674
PHE A 698
None
1.38A 3mnoA-5bs5A:
undetectable
3mnoA-5bs5A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 MET A 587
LEU A 615
CYH A 641
ILE A 674
PHE A 698
None
1.38A 3mnpA-5bs5A:
undetectable
3mnpA-5bs5A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 MET A 416
LEU A 490
LEU A 489
MET A 514
GLY A 344
None
0.97A 3q95B-5bs5A:
undetectable
3q95B-5bs5A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9T_B_BEZB264_0
(ECHA1_1)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 7 ILE A 607
LEU A 591
ALA A 558
ALA A 559
None
0.90A 3r9tB-5bs5A:
undetectable
3r9tB-5bs5A:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 HIS A 510
ARG A 508
ARG A 710
GLY A 332
GLU A 631
None
1.40A 3u40B-5bs5A:
undetectable
3u40C-5bs5A:
undetectable
3u40B-5bs5A:
22.02
3u40C-5bs5A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_R_CLMR221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 10 PHE A 554
PHE A 741
VAL A 754
PHE A 315
VAL A 734
None
1.41A 3u9fR-5bs5A:
undetectable
3u9fR-5bs5A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 PHE A 741
THR A 731
PHE A 324
ALA A 558
ALA A 552
None
1.37A 3ua1A-5bs5A:
undetectable
3ua1A-5bs5A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 11 PHE A 698
GLY A 724
GLY A 700
ILE A 317
PRO A 696
None
1.09A 4dcmA-5bs5A:
undetectable
4dcmA-5bs5A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
None
1.22A 4eb4A-5bs5A:
undetectable
4eb4A-5bs5A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
None
1.22A 4eb4B-5bs5A:
undetectable
4eb4B-5bs5A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
3 / 3 ASP A 361
ARG A 710
THR A 408
None
0.88A 4i13A-5bs5A:
undetectable
4i13A-5bs5A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_STRA301_2
(ANCESTRAL STEROID
RECEPTOR 2)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 8 ALA A 495
MET A 447
THR A 511
PHE A 343
None
0.99A 4ltwA-5bs5A:
undetectable
4ltwA-5bs5A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
3 / 3 ASP A 361
ARG A 710
THR A 408
None
0.89A 4p3rA-5bs5A:
undetectable
4p3rA-5bs5A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 THR A 350
GLY A 539
SER A 375
HIS A 387
THR A 385
None
1.17A 4pooA-5bs5A:
3.6
4pooA-5bs5A:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PXM_A_ESTA2000_1
(ESTROGEN RECEPTOR)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 MET A 416
LEU A 490
LEU A 489
MET A 514
GLY A 344
None
0.99A 4pxmA-5bs5A:
undetectable
4pxmA-5bs5A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
3 / 3 GLU A 377
THR A 350
HIS A 387
None
0.85A 4q15A-5bs5A:
undetectable
4q15A-5bs5A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_B_HFGB803_1
(PROLINE--TRNA LIGASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
3 / 3 GLU A 377
THR A 350
HIS A 387
None
0.85A 4q15B-5bs5A:
undetectable
4q15B-5bs5A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 604
LEU A 568
THR A 578
ILE A 581
ILE A 573
None
1.06A 4x5jA-5bs5A:
undetectable
4x5jA-5bs5A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
3 / 3 GLU A 377
THR A 350
HIS A 387
None
0.74A 4ydqB-5bs5A:
undetectable
4ydqB-5bs5A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CXV_A_0HKA501_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
3 / 3 THR A 733
THR A 736
PHE A 738
None
0.89A 5cxvA-5bs5A:
undetectable
5cxvA-5bs5A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_A_SAMA301_1
(UNCHARACTERIZED
PROTEIN MJ0489)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 4 LYS A 485
ASP A 333
GLU A 512
THR A 507
None
0.86A 5d4uA-5bs5A:
undetectable
5d4uA-5bs5A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_B_SAMB301_1
(UNCHARACTERIZED
PROTEIN MJ0489)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 4 LYS A 485
ASP A 333
GLU A 512
THR A 507
None
0.87A 5d4uB-5bs5A:
undetectable
5d4uB-5bs5A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_C_SAMC301_1
(UNCHARACTERIZED
PROTEIN MJ0489)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 4 LYS A 485
ASP A 333
GLU A 512
THR A 507
None
0.90A 5d4uC-5bs5A:
undetectable
5d4uC-5bs5A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_D_SAMD301_1
(UNCHARACTERIZED
PROTEIN MJ0489)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 4 LYS A 485
ASP A 333
GLU A 512
THR A 507
None
0.85A 5d4uD-5bs5A:
undetectable
5d4uD-5bs5A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_A_ID8A601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
3 / 3 VAL A 384
LEU A 394
MET A 372
None
0.66A 5ikrA-5bs5A:
undetectable
5ikrA-5bs5A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_A_SAMA301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ALA A 419
LEU A 417
SER A 414
LEU A 394
ALA A 495
None
1.07A 5jglA-5bs5A:
undetectable
5jglA-5bs5A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MUG_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 583
ILE A 711
ILE A 685
LEU A 669
ILE A 637
None
0.89A 5mugA-5bs5A:
undetectable
5mugA-5bs5A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0X_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
3 / 3 SER A 399
ALA A 400
THR A 427
None
0.74A 5n0xB-5bs5A:
undetectable
5n0xB-5bs5A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W4Z_A_RBFA502_1
(RIBOFLAVIN LYASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ALA A 638
GLY A 588
GLY A 579
ALA A 628
GLN A 586
None
0.92A 5w4zA-5bs5A:
undetectable
5w4zA-5bs5A:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
None
1.17A 5x66A-5bs5A:
undetectable
5x66B-5bs5A:
undetectable
5x66A-5bs5A:
21.05
5x66B-5bs5A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 9 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
None
1.12A 5x66C-5bs5A:
undetectable
5x66C-5bs5A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
5 / 12 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
None
1.13A 5x66F-5bs5A:
undetectable
5x66F-5bs5A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 6 SER A 486
GLN A 483
GLU A 503
THR A 524
None
1.38A 6djzA-5bs5A:
undetectable
6djzA-5bs5A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii)
4 / 5 ILE A 609
LEU A 591
THR A 614
LEU A 615
None
0.89A 6nmpN-5bs5A:
undetectable
6nmpW-5bs5A:
undetectable
6nmpN-5bs5A:
22.28
6nmpW-5bs5A:
8.60