SIMILAR PATTERNS OF AMINO ACIDS FOR 5L4I_B_6J3B201_0

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. 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.
1aql BILE-SALT ACTIVATED
LIPASE


(Bos taurus)
PF00135
(COesterase)
4 ALA A 307
LEU A 303
SER A 206
THR A 204
None
1.27A 5l4iB-1aqlA:
0.0
5l4iB-1aqlA:
18.04
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.
1gk2 HISTIDINE
AMMONIA-LYASE


(Pseudomonas
putida)
PF00221
(Lyase_aromatic)
4 LEU A 341
ALA A 204
LEU A 208
THR A 201
None
1.25A 5l4iB-1gk2A:
undetectable
5l4iB-1gk2A:
13.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gke TRANSTHYRETIN

(Rattus
norvegicus)
PF00576
(Transthyretin)
5 LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
None
0.31A 5l4iB-1gkeA:
21.2
5l4iB-1gkeA:
83.33
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.
1guq GALACTOSE-1-PHOSPHAT
E
URIDYLYLTRANSFERASE


(Escherichia
coli)
PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C)
4 LEU A 119
LEU A 122
SER A 123
THR A 128
None
1.28A 5l4iB-1guqA:
undetectable
5l4iB-1guqA:
16.81
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.
1jmy BILE-SALT-ACTIVATED
LIPASE


(Homo sapiens)
PF00135
(COesterase)
4 LYS A 361
LEU A 357
ALA A 360
THR A 352
None
1.22A 5l4iB-1jmyA:
undetectable
5l4iB-1jmyA:
12.64
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X


(Streptococcus
pneumoniae)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA)
4 LEU A 585
ALA A 291
LEU A 293
THR A 305
None
0.77A 5l4iB-1k25A:
0.0
5l4iB-1k25A:
10.80
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.
1nfd H57 FAB

(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU E 132
ALA E 130
LEU E 179
THR E 182
None
1.17A 5l4iB-1nfdE:
4.0
5l4iB-1nfdE:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sn2 TRANSTHYRETIN

(Sparus aurata)
PF00576
(Transthyretin)
4 LEU A  17
ALA A 108
LEU A 110
THR A 119
None
0.42A 5l4iB-1sn2A:
20.8
5l4iB-1sn2A:
54.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tfp TRANSTHYRETIN

(Gallus gallus)
PF00576
(Transthyretin)
4 LEU A  17
ALA A 108
LEU A 110
THR A 119
None
0.33A 5l4iB-1tfpA:
18.8
5l4iB-1tfpA:
73.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tfp TRANSTHYRETIN

(Gallus gallus)
PF00576
(Transthyretin)
4 LYS A  15
LEU A  17
LEU A 110
SER A 117
None
1.11A 5l4iB-1tfpA:
18.8
5l4iB-1tfpA:
73.85
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.
1uun MSPA

(Mycolicibacterium
smegmatis)
PF09203
(MspA)
4 LEU A  62
ALA A 164
LEU A 166
THR A 176
None
0.59A 5l4iB-1uunA:
3.1
5l4iB-1uunA:
22.83
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.
1xvx YFUA

(Yersinia
enterocolitica)
PF13343
(SBP_bac_6)
4 LYS A 166
LEU A 162
ALA A 309
LEU A 305
None
1.04A 5l4iB-1xvxA:
undetectable
5l4iB-1xvxA:
18.95
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.
1xvy SFUA

(Yersinia
enterocolitica)
PF13343
(SBP_bac_6)
4 LYS A 163
LEU A 159
ALA A 306
LEU A 302
None
1.02A 5l4iB-1xvyA:
undetectable
5l4iB-1xvyA:
18.47
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.
1yr2 PROLYL
OLIGOPEPTIDASE


(Novosphingobium
capsulatum)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
4 LEU A 684
ALA A 649
LEU A 651
SER A 596
None
0.72A 5l4iB-1yr2A:
undetectable
5l4iB-1yr2A:
11.34
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.
1zzp PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1


(Homo sapiens)
PF08919
(F_actin_bind)
4 LEU A 101
ALA A  66
LEU A  64
SER A  61
None
1.23A 5l4iB-1zzpA:
undetectable
5l4iB-1zzpA:
24.18
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.
2aee OROTATE
PHOSPHORIBOSYLTRANSF
ERASE


(Streptococcus
pyogenes)
PF00156
(Pribosyltran)
4 LEU A 124
ALA A 150
SER A 174
THR A 172
None
1.21A 5l4iB-2aeeA:
undetectable
5l4iB-2aeeA:
20.87
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.
2apn PROTEIN HI1723

(Haemophilus
influenzae)
PF01521
(Fe-S_biosyn)
4 LYS A  18
LEU A  33
ALA A  15
THR A  12
None
1.26A 5l4iB-2apnA:
undetectable
5l4iB-2apnA:
20.61
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.
2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE


(Streptococcus
pneumoniae)
PF01522
(Polysacc_deac_1)
4 LEU A 380
ALA A 454
LEU A 378
SER A 377
None
1.20A 5l4iB-2c1iA:
undetectable
5l4iB-2c1iA:
16.13
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.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN


(Homo sapiens)
PF00128
(Alpha-amylase)
4 LEU A 304
LEU A 334
SER A 335
THR A 300
None
1.13A 5l4iB-2dh3A:
undetectable
5l4iB-2dh3A:
14.08
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.
2dlc TYROSYL-TRNA
SYNTHETASE,
CYTOPLASMIC


(Saccharomyces
cerevisiae)
PF00579
(tRNA-synt_1b)
4 LYS X  68
LEU X  15
ALA X  64
THR X  61
None
1.23A 5l4iB-2dlcX:
undetectable
5l4iB-2dlcX:
14.96
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR


(Escherichia
coli)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF)
4 LEU A 939
ALA A 910
LEU A 784
SER A 906
EPE  A1151 (-4.0A)
None
None
EPE  A1152 (-2.8A)
0.99A 5l4iB-2eyqA:
undetectable
5l4iB-2eyqA:
8.05
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.
2fe9 PROTEIN VTS1

(Saccharomyces
cerevisiae)
PF07647
(SAM_2)
4 LYS A  30
LEU A  28
LEU A  26
SER A  25
None
1.10A 5l4iB-2fe9A:
undetectable
5l4iB-2fe9A:
21.74
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE


(Xanthomonas
citri)
PF01663
(Phosphodiest)
4 LEU A 405
ALA A  47
LEU A 404
THR A 250
None
1.18A 5l4iB-2gsnA:
undetectable
5l4iB-2gsnA:
14.91
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.
2ki8 TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE,
SUBUNIT D (FWDD-2)


(Archaeoglobus
fulgidus)
PF01568
(Molydop_binding)
4 LEU A 140
ALA A 143
LEU A 141
SER A 146
None
1.29A 5l4iB-2ki8A:
undetectable
5l4iB-2ki8A:
21.66
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.
2myi EXODEOXYRIBONUCLEASE
III


(Pseudomonas sp.
Lz4W)
PF03372
(Exo_endo_phos)
4 LEU A 108
ALA A  69
LEU A  33
SER A   5
None
1.26A 5l4iB-2myiA:
undetectable
5l4iB-2myiA:
19.32
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.
2nlz CEPHALOSPORIN
ACYLASE


(Bacillus
halodurans)
PF01019
(G_glu_transpept)
4 LEU A 208
ALA A  57
LEU A 142
SER A 141
None
1.00A 5l4iB-2nlzA:
undetectable
5l4iB-2nlzA:
15.28
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.
2o9a ACETATE OPERON
REPRESSOR


(Escherichia
coli)
PF01614
(IclR)
4 LEU A  72
LEU A  75
SER A  76
THR A  81
None
1.23A 5l4iB-2o9aA:
undetectable
5l4iB-2o9aA:
24.04
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)


(Saccharomyces
cerevisiae)
PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT)
4 LEU G 339
LEU G 386
SER G 385
THR G 356
None
1.14A 5l4iB-2uv8G:
undetectable
5l4iB-2uv8G:
5.24
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.
2v9u MSPA

(Mycolicibacterium
smegmatis)
PF09203
(MspA)
4 LEU A  62
ALA A 164
LEU A 166
THR A 176
LEU  A  62 ( 0.5A)
ALA  A 164 ( 0.0A)
LEU  A 166 ( 0.5A)
THR  A 176 ( 0.8A)
0.58A 5l4iB-2v9uA:
3.1
5l4iB-2v9uA:
23.88
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.
2vld UPF0286 PROTEIN
PYRAB01260


(Pyrococcus
abyssi)
PF01939
(NucS)
4 LEU A 207
ALA A 216
SER A 211
THR A 213
None
1.18A 5l4iB-2vldA:
undetectable
5l4iB-2vldA:
16.87
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.
2w6d DYNAMIN FAMILY
PROTEIN


(Nostoc
punctiforme)
PF00350
(Dynamin_N)
4 LEU A  49
ALA A  38
LEU A  51
THR A  34
None
0.68A 5l4iB-2w6dA:
undetectable
5l4iB-2w6dA:
12.22
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.
2wy0 ANGIOTENSINOGEN

(Mus musculus)
PF00079
(Serpin)
4 LEU C 100
ALA C 104
SER C 394
THR C 247
None
1.15A 5l4iB-2wy0C:
undetectable
5l4iB-2wy0C:
13.97
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2


(Streptomyces
fradiae)
PF08659
(KR)
4 LEU A 443
ALA A 446
LEU A 444
SER A 234
None
1.21A 5l4iB-2z5lA:
undetectable
5l4iB-2z5lA:
14.85
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.
3bdw NKG2-A/NKG2-B TYPE
II INTEGRAL MEMBRANE
PROTEIN


(Homo sapiens)
PF00059
(Lectin_C)
4 LEU B 216
ALA B 209
LEU B 211
SER B 173
None
0.92A 5l4iB-3bdwB:
undetectable
5l4iB-3bdwB:
21.43
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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1)
PF00206
(Lyase_1)
PF10397
(ADSL_C)
4 LEU A 213
ALA A 115
LEU A 210
SER A 204
None
1.28A 5l4iB-3c8tA:
undetectable
5l4iB-3c8tA:
18.16
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.
3cjn TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY


(Ruegeria
pomeroyi)
PF01047
(MarR)
4 LEU A  87
LEU A  84
SER A  81
THR A  79
None
1.28A 5l4iB-3cjnA:
undetectable
5l4iB-3cjnA:
20.69
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.
3d3d LYSOZYME

(Escherichia
virus Lambda)
PF00959
(Phage_lysozyme)
4 LEU A  12
LEU A  15
SER A  18
THR A  21
None
0.99A 5l4iB-3d3dA:
undetectable
5l4iB-3d3dA:
20.62
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.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY


(Ruegeria
pomeroyi)
PF13377
(Peripla_BP_3)
4 LEU A 318
LEU A 315
SER A 312
THR A 310
None
1.15A 5l4iB-3e3mA:
undetectable
5l4iB-3e3mA:
17.94
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.
3f85 HOMO TRIMERIC FUSION
OF CFA/I FIMBRIAL
SUBUNITS B


(Escherichia
coli)
PF04449
(Fimbrial_CS1)
4 ALA A 343
LEU A 390
SER A 401
THR A 340
None
1.24A 5l4iB-3f85A:
undetectable
5l4iB-3f85A:
14.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fc8 TRANSTHYRETIN

(Homo sapiens)
PF00576
(Transthyretin)
6 LYS A  15
LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
IFA  A3000 (-3.9A)
IFA  A3000 ( 4.9A)
0.30A 5l4iB-3fc8A:
22.8
5l4iB-3fc8A:
100.00
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.
3fet ELECTRON TRANSFER
FLAVOPROTEIN SUBUNIT
ALPHA RELATED
PROTEIN


(Thermoplasma
acidophilum)
PF01012
(ETF)
4 LEU A 100
ALA A  71
LEU A  19
THR A   5
None
1.13A 5l4iB-3fetA:
undetectable
5l4iB-3fetA:
22.73
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.
3g9h SUPPRESSOR OF YEAST
PROFILIN DELETION


(Saccharomyces
cerevisiae)
PF10291
(muHD)
4 ALA A 756
LEU A 804
SER A 720
THR A 801
None
1.04A 5l4iB-3g9hA:
undetectable
5l4iB-3g9hA:
17.50
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.
3h35 UNCHARACTERIZED
PROTEIN ABO_0056


(Alcanivorax
borkumensis)
no annotation 4 LEU A 146
LEU A 153
SER A 154
THR A  73
None
1.19A 5l4iB-3h35A:
undetectable
5l4iB-3h35A:
20.54
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.
3hum PENICILLIN-BINDING
PROTEIN 4


(Staphylococcus
aureus)
PF00768
(Peptidase_S11)
PF09211
(DUF1958)
4 LEU A 112
ALA A 142
LEU A 115
SER A 116
None
None
None
CEW  A 501 (-3.1A)
1.12A 5l4iB-3humA:
undetectable
5l4iB-3humA:
12.56
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.
3jv7 ADH-A

(Rhodococcus
ruber)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 LYS A   1
ALA A   3
SER A 124
THR A  59
None
1.25A 5l4iB-3jv7A:
undetectable
5l4iB-3jv7A:
19.01
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2


(Homo sapiens)
PF01401
(Peptidase_M2)
4 LYS A  68
LEU A  39
ALA A  65
SER A  44
None
1.04A 5l4iB-3kbhA:
undetectable
5l4iB-3kbhA:
10.31
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.
3kg9 CURK

(Lyngbya
majuscula)
PF14765
(PS-DH)
4 LEU A1167
ALA A1158
LEU A1163
THR A1203
None
1.19A 5l4iB-3kg9A:
undetectable
5l4iB-3kg9A:
19.15
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE


(Actinomadura
kijaniata)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 LEU A 371
ALA A 276
LEU A 357
SER A 358
None
1.06A 5l4iB-3m9vA:
undetectable
5l4iB-3m9vA:
14.82
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.
3mlu HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 2557 FAB
LIGHT CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU L 136
ALA L 134
LEU L 182
THR L 185
None
1.03A 5l4iB-3mluL:
2.7
5l4iB-3mluL:
22.69
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT


(Komagataella
pastoris)
PF00365
(PFK)
4 LYS B 730
LEU B 801
ALA B 733
SER B 831
SO4  B 944 (-2.8A)
None
None
None
1.28A 5l4iB-3opyB:
undetectable
5l4iB-3opyB:
9.03
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.
3pqj BIOFILM
GROWTH-ASSOCIATED
REPRESSOR


(Xylella
fastidiosa)
PF12840
(HTH_20)
4 LEU A  72
LEU A  69
SER A  66
THR A  64
None
1.01A 5l4iB-3pqjA:
undetectable
5l4iB-3pqjA:
24.26
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.
3rb5 NA/CA EXCHANGE
PROTEIN


(Drosophila
melanogaster)
PF03160
(Calx-beta)
4 LYS A 656
LEU A 653
ALA A 655
LEU A 647
None
1.27A 5l4iB-3rb5A:
2.9
5l4iB-3rb5A:
19.59
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L


(Escherichia
coli)
no annotation 4 LEU L 347
LEU L 457
SER L 454
THR L 452
None
1.15A 5l4iB-3rkoL:
undetectable
5l4iB-3rkoL:
11.31
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.
3tkn NUCLEOPORIN NUP82

(Saccharomyces
cerevisiae)
no annotation 4 LYS A 135
LEU A 216
LEU A 212
THR A 193
None
1.27A 5l4iB-3tknA:
undetectable
5l4iB-3tknA:
12.39
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.
3uel POLY(ADP-RIBOSE)
GLYCOHYDROLASE


(Rattus
norvegicus)
PF05028
(PARG_cat)
4 LEU A 766
ALA A 633
LEU A 629
SER A 628
None
1.10A 5l4iB-3uelA:
undetectable
5l4iB-3uelA:
12.15
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.
3uxj NADPH-DEPENDENT
7-CYANO-7-DEAZAGUANI
NE REDUCTASE


(Vibrio cholerae)
PF14489
(QueF)
PF14819
(QueF_N)
4 LYS A  96
LEU A 100
LEU A  35
SER A  34
NAP  A 291 (-3.1A)
None
None
None
0.88A 5l4iB-3uxjA:
undetectable
5l4iB-3uxjA:
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.
3v6a APOPTOSIS INHIBITOR
5


(Homo sapiens)
PF05918
(API5)
4 LYS A 411
ALA A 414
SER A 341
THR A 418
None
1.16A 5l4iB-3v6aA:
undetectable
5l4iB-3v6aA:
14.86
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1


(Brucella
melitensis)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
4 LEU A  69
ALA A  79
LEU A  72
THR A  57
None
1.19A 5l4iB-3vabA:
undetectable
5l4iB-3vabA:
16.47
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.
3vkw REPLICASE LARGE
SUBUNIT


(Tobacco mosaic
virus)
PF01443
(Viral_helicase1)
4 LYS A1016
LEU A1018
SER A1075
THR A1046
None
1.25A 5l4iB-3vkwA:
undetectable
5l4iB-3vkwA:
15.66
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.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC


(Oryza sativa)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
4 LEU A 556
LEU A 562
SER A 491
THR A 488
None
1.25A 5l4iB-3vu2A:
undetectable
5l4iB-3vu2A:
11.08
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
4 LEU A 249
LEU A 264
SER A 265
THR A 262
None
1.11A 5l4iB-3wdjA:
2.7
5l4iB-3wdjA:
11.21
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP


(Thermotoga
maritima)
PF03030
(H_PPase)
4 LEU A 325
ALA A 329
SER A 301
THR A 332
None
1.17A 5l4iB-4av6A:
undetectable
5l4iB-4av6A:
11.72
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.
4b4s BCL-2-LIKE PROTEIN
10


(Homo sapiens)
PF00452
(Bcl-2)
4 LEU A 130
LEU A  16
SER A  19
THR A  95
None
1.23A 5l4iB-4b4sA:
undetectable
5l4iB-4b4sA:
20.11
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.
4bn7 COPPER INDUCED
NITROREDUCTASE D


(Lactococcus
lactis)
PF00881
(Nitroreductase)
4 LEU A 141
ALA A 148
LEU A 146
SER A 181
None
1.12A 5l4iB-4bn7A:
undetectable
5l4iB-4bn7A:
19.90
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE


(Thermotoga
maritima)
PF13597
(NRDD)
4 LYS A 295
LEU A 297
LEU A 290
SER A 320
None
1.12A 5l4iB-4conA:
undetectable
5l4iB-4conA:
11.55
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.
4ctd OUTER MEMBRANE
PROTEIN G


(Escherichia
coli)
PF09381
(Porin_OmpG)
4 LEU A 167
ALA A 195
LEU A 197
THR A 210
None
None
None
CL  A1274 (-4.2A)
0.64A 5l4iB-4ctdA:
undetectable
5l4iB-4ctdA:
17.94
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.
4gw9 BACTERIOPHYTOCHROME

(Rhodopseudomonas
palustris)
PF00360
(PHY)
PF00989
(PAS)
PF01590
(GAF)
PF08446
(PAS_2)
4 ALA A 411
LEU A 405
SER A 402
THR A 414
None
1.02A 5l4iB-4gw9A:
undetectable
5l4iB-4gw9A:
13.02
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.
4hfo BIOGENIC
AMINE-BINDING
PROTEIN


(Rhodnius
prolixus)
PF02087
(Nitrophorin)
4 LEU A 187
LEU A  46
SER A  22
THR A  20
None
1.05A 5l4iB-4hfoA:
undetectable
5l4iB-4hfoA:
20.20
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.
4ivn TRANSCRIPTIONAL
REGULATOR


(Vibrio
vulnificus)
PF01380
(SIS)
PF01418
(HTH_6)
4 LEU A 207
ALA A 225
LEU A 223
THR A 108
None
1.18A 5l4iB-4ivnA:
undetectable
5l4iB-4ivnA:
17.09
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.
4jy4 PGT121 LIGHT CHAIN

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU A 133
ALA A 131
LEU A 179
THR A 182
None
1.00A 5l4iB-4jy4A:
undetectable
5l4iB-4jy4A:
23.72
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.
4k1c VACUOLAR CALCIUM ION
TRANSPORTER


(Saccharomyces
cerevisiae)
PF01699
(Na_Ca_ex)
4 LEU A 258
LEU A 254
SER A 253
THR A  82
None
1.22A 5l4iB-4k1cA:
undetectable
5l4iB-4k1cA:
15.02
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.
4lsu LIGHT CHAIN OF
ANTIBODY VRC-PG20


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU L 132
ALA L 130
LEU L 178
THR L 181
None
1.00A 5l4iB-4lsuL:
undetectable
5l4iB-4lsuL:
24.51
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A


(Streptococcus
pneumoniae)
PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix)
4 LYS A 426
LEU A 424
ALA A 470
THR A 503
None
CA  A 702 ( 4.5A)
None
None
0.78A 5l4iB-4mr0A:
undetectable
5l4iB-4mr0A:
12.41
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.
4qyb UNCHARACTERIZED
PROTEIN


(Burkholderia
cenocepacia)
PF10765
(DUF2591)
4 LEU A  98
ALA A 102
SER A  94
THR A 105
None
0.88A 5l4iB-4qybA:
undetectable
5l4iB-4qybA:
23.57
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.
4tr6 DNA POLYMERASE III
SUBUNIT BETA


(Bacillus
subtilis)
PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3)
4 LEU A 373
LEU A 361
SER A 352
THR A 354
None
0.66A 5l4iB-4tr6A:
undetectable
5l4iB-4tr6A:
15.34
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.
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN


(Mycolicibacterium
fortuitum)
PF00722
(Glyco_hydro_16)
4 LEU A 109
ALA A 101
LEU A 103
SER A  63
LEU  A 109 ( 0.6A)
ALA  A 101 ( 0.0A)
LEU  A 103 ( 0.6A)
SER  A  63 ( 0.0A)
0.95A 5l4iB-4w65A:
undetectable
5l4iB-4w65A:
20.22
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3


(Drosophila
melanogaster)
PF07034
(ORC3_N)
4 LEU C 413
ALA C 466
LEU C 410
THR C 470
None
1.00A 5l4iB-4xgcC:
undetectable
5l4iB-4xgcC:
12.72
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.
4zf7 INTERLEUKIN 2

(Mustela
putorius)
PF00715
(IL2)
4 LYS A  30
LEU A  26
LEU A 117
THR A 112
None
1.26A 5l4iB-4zf7A:
undetectable
5l4iB-4zf7A:
21.62
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.
5c3c CBBQ/NIRQ/NORQ
DOMAIN PROTEIN


(Halothiobacillus
neapolitanus)
PF07728
(AAA_5)
PF08406
(CbbQ_C)
4 LEU A 245
ALA A 204
LEU A 223
SER A 220
None
None
None
ADP  A 301 ( 4.6A)
1.15A 5l4iB-5c3cA:
undetectable
5l4iB-5c3cA:
22.91
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.
5dzu ASPARTIC PROTEASE
INHIBITOR 11


(Solanum
tuberosum)
PF00197
(Kunitz_legume)
4 LYS A 128
LEU A  80
LEU A  71
SER A  72
None
1.18A 5l4iB-5dzuA:
undetectable
5l4iB-5dzuA:
23.04
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.
5ei0 SERPIN A12

(Homo sapiens)
PF00079
(Serpin)
4 LYS A 155
LEU A 151
ALA A 160
THR A 137
None
1.17A 5l4iB-5ei0A:
undetectable
5l4iB-5ei0A:
16.02
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.
5emw TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-5


(Homo sapiens)
no annotation 4 LEU A 413
ALA A 224
LEU A 228
SER A 326
None
1.10A 5l4iB-5emwA:
2.2
5l4iB-5emwA:
22.75
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7)
PF00704
(Glyco_hydro_18)
4 LEU B 798
ALA B 741
SER B 791
THR B 765
None
1.11A 5l4iB-5gztB:
undetectable
5l4iB-5gztB:
7.84
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7)
PF00704
(Glyco_hydro_18)
4 LEU A 798
ALA A 741
SER A 791
THR A 765
None
1.08A 5l4iB-5gzuA:
undetectable
5l4iB-5gzuA:
9.27
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.
5h9k LIPOCALIN AI-4

(Rhodnius
prolixus)
PF03973
(Triabin)
4 LEU A 108
LEU A 124
SER A  36
THR A  34
None
0.96A 5l4iB-5h9kA:
undetectable
5l4iB-5h9kA:
22.09
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.
5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR


(Acinetobacter
sp. ADP1)
PF01614
(IclR)
4 LEU A 260
ALA A 224
LEU A 238
THR A 161
None
None
None
3HB  A 301 (-3.6A)
1.05A 5l4iB-5hpiA:
undetectable
5l4iB-5hpiA:
20.22
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT


(Pyrococcus
abyssi)
PF03833
(PolC_DP2)
4 ALA A 926
LEU A 989
SER A 116
THR A 924
None
1.28A 5l4iB-5ijlA:
undetectable
5l4iB-5ijlA:
8.99
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.
5ilt BOVINE FAB A01 LIGHT
CHAIN


(Bos taurus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU L 132
ALA L 130
LEU L 178
THR L 181
None
1.09A 5l4iB-5iltL:
4.1
5l4iB-5iltL:
25.49
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.
5m76 LIGHT CHAIN DIMER

(Homo sapiens)
no annotation 4 LEU A 135
ALA A 133
LEU A 181
THR A 184
None
1.03A 5l4iB-5m76A:
4.2
5l4iB-5m76A:
23.00
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN


(Thermothelomyces
thermophila)
PF07992
(Pyr_redox_2)
4 LEU A 197
ALA A 216
LEU A 214
SER A  77
None
0.65A 5l4iB-5mq6A:
undetectable
5l4iB-5mq6A:
12.82
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 4 LEU A 608
ALA A 524
LEU A  49
THR A 520
None
1.20A 5l4iB-5nd1A:
undetectable
5l4iB-5nd1A:
undetectable
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1


(Homo sapiens)
PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9)
4 LYS A1775
LEU A1778
LEU A1825
SER A1824
None
1.21A 5l4iB-5nugA:
undetectable
5l4iB-5nugA:
2.33
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.
5vbb RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
PF00849
(PseudoU_synth_2)
4 LYS A 167
LEU A 169
LEU A 145
SER A 115
None
1.08A 5l4iB-5vbbA:
undetectable
5l4iB-5vbbA:
16.48
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Danio rerio)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R)
4 LEU A 601
ALA A 572
LEU A 570
SER A 490
None
1.07A 5l4iB-5w81A:
undetectable
5l4iB-5w81A:
6.56
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.
5wk1 CAPSID STABILIZING
PROTEIN


(Pseudoalteromonas
phage TW1)
no annotation 4 LEU X  34
LEU X  57
SER X  84
THR X  19
None
1.29A 5l4iB-5wk1X:
undetectable
5l4iB-5wk1X:
undetectable
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1


(Arabidopsis
thaliana)
no annotation 4 LEU A  81
ALA A  62
LEU A  60
SER A 125
None
1.26A 5l4iB-5wp4A:
undetectable
5l4iB-5wp4A:
14.63
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2


(Arabidopsis
thaliana)
no annotation 4 LEU A  81
ALA A  62
LEU A  60
SER A 125
None
1.23A 5l4iB-5wp5A:
undetectable
5l4iB-5wp5A:
14.86
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.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE


(Escherichia
coli)
PF00795
(CN_hydrolase)
4 LEU A 319
ALA A 323
LEU A 288
SER A 293
None
1.16A 5l4iB-5xhqA:
undetectable
5l4iB-5xhqA:
13.31
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.
5xtc NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L


(Homo sapiens;
Homo sapiens)
no annotation
no annotation
4 LEU i  71
ALA k  44
LEU k  40
SER k  39
None
1.28A 5l4iB-5xtci:
undetectable
5l4iB-5xtci:
15.32
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.
6gne -

(-)
no annotation 4 LEU A 387
LEU A 359
SER A 395
THR A 397
None
ADP  A 601 ( 4.4A)
ADP  A 601 ( 4.2A)
None
1.19A 5l4iB-6gneA:
undetectable
5l4iB-6gneA:
undetectable