SIMILAR PATTERNS OF AMINO ACIDS FOR 4UG5_A_H4BA902_1

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.
1gll GLYCEROL KINASE

(Escherichia
coli)
no annotation 3 ARG Y 106
THR Y  85
TRP Y 103
None
None
GOL  Y 600 ( 3.6A)
1.15A 4ug5A-1gllY:
0.0
4ug5A-1gllY:
21.71
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
3 ARG A 626
THR A 605
TRP A 606
None
1.05A 4ug5A-1kwgA:
0.0
4ug5A-1kwgA:
20.58
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.
1mir PROCATHEPSIN B

(Rattus
norvegicus)
PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1)
3 ARG A  49
THR A 253
TRP A 257
None
1.27A 4ug5A-1mirA:
undetectable
4ug5A-1mirA:
18.82
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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE


(Escherichia
coli)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
3 ARG A  20
THR A 326
TRP A 301
None
0.90A 4ug5A-1t4bA:
undetectable
4ug5A-1t4bA:
22.57
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 500
THR A 620
TRP A 623
None
1.18A 4ug5A-1tkcA:
0.0
4ug5A-1tkcA:
20.41
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.
1x9n DNA LIGASE I

(Homo sapiens)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
3 ARG A 678
THR A 726
TRP A 742
None
1.26A 4ug5A-1x9nA:
undetectable
4ug5A-1x9nA:
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.)
PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5)
3 ARG A 926
THR A 754
TRP A 308
None
1.12A 4ug5A-1xc6A:
0.0
4ug5A-1xc6A:
14.93
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.
1z6x ADP-RIBOSYLATION
FACTOR 4


(Homo sapiens)
PF00025
(Arf)
3 ARG A 149
THR A 152
TRP A 153
None
1.11A 4ug5A-1z6xA:
0.0
4ug5A-1z6xA:
19.78
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.
2ab5 MRNA MATURASE

(Saccharomyces
cerevisiae)
PF00961
(LAGLIDADG_1)
3 ARG A 336
THR A 279
TRP A 277
None
0.94A 4ug5A-2ab5A:
0.0
4ug5A-2ab5A:
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.
2aex COPROPORPHYRINOGEN
III OXIDASE,
MITOCHONDRIAL


(Homo sapiens)
PF01218
(Coprogen_oxidas)
3 ARG A 391
THR A 286
TRP A 384
None
0.99A 4ug5A-2aexA:
undetectable
4ug5A-2aexA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS


(Bacillus
subtilis)
PF02898
(NO_synthase)
3 ARG A 243
THR A 324
TRP A 325
H4B  A 903 (-3.4A)
None
H4B  A 903 ( 3.6A)
0.42A 4ug5A-2an2A:
49.5
4ug5A-2an2A:
93.39
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
3 ARG A 186
THR A  83
TRP A 101
None
1.17A 4ug5A-2dpnA:
undetectable
4ug5A-2dpnA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2flq NITRIC OXIDE
SYNTHASE


(Geobacillus
stearothermophilus)
PF02898
(NO_synthase)
3 ARG A 252
THR A 333
TRP A 334
None
0.20A 4ug5A-2flqA:
51.7
4ug5A-2flqA:
63.81
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC


(Lactococcus
lactis)
PF05147
(LANC_like)
3 ARG A 345
THR A 399
TRP A 401
None
1.19A 4ug5A-2g02A:
undetectable
4ug5A-2g02A:
21.26
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.
2gez L-ASPARAGINASE BETA
SUBUNIT


(Lupinus luteus)
PF01112
(Asparaginase_2)
3 ARG B 308
THR B 304
TRP B 322
None
1.12A 4ug5A-2gezB:
undetectable
4ug5A-2gezB:
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.
2lnl C-X-C CHEMOKINE
RECEPTOR TYPE 1


(Homo sapiens)
PF00001
(7tm_1)
3 ARG A 175
THR A 195
TRP A 198
None
1.05A 4ug5A-2lnlA:
undetectable
4ug5A-2lnlA:
21.12
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.
2nyh PUTATIVE DIOXYGENASE

(Paraburkholderia
xenovorans)
PF08883
(DOPA_dioxygen)
3 ARG A  23
THR A  28
TRP A  27
None
1.19A 4ug5A-2nyhA:
undetectable
4ug5A-2nyhA:
15.92
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.
2odp COMPLEMENT C2

(Homo sapiens)
PF00089
(Trypsin)
PF00092
(VWA)
3 ARG A 382
THR A 341
TRP A 344
None
1.20A 4ug5A-2odpA:
undetectable
4ug5A-2odpA:
20.86
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50


(Geobacillus
stearothermophilus)
PF00135
(COesterase)
3 ARG A 364
THR A 358
TRP A 362
ARG  A 364 ( 0.6A)
THR  A 358 ( 0.8A)
TRP  A 362 ( 0.5A)
1.09A 4ug5A-2ogsA:
0.4
4ug5A-2ogsA:
22.54
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.
2ola O-SUCCINYLBENZOIC
ACID SYNTHETASE


(Staphylococcus
aureus)
PF13378
(MR_MLE_C)
3 ARG A  29
THR A  53
TRP A  55
None
1.16A 4ug5A-2olaA:
undetectable
4ug5A-2olaA:
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.
2p5u UDP-GLUCOSE
4-EPIMERASE


(Thermus
thermophilus)
PF01370
(Epimerase)
3 ARG A 138
THR A 134
TRP A 135
None
1.10A 4ug5A-2p5uA:
undetectable
4ug5A-2p5uA:
21.99
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.
2qkx BIFUNCTIONAL PROTEIN
GLMU


(Mycobacterium
tuberculosis)
PF00132
(Hexapep)
PF12804
(NTP_transf_3)
3 ARG A 253
THR A 271
TRP A 273
None
1.16A 4ug5A-2qkxA:
undetectable
4ug5A-2qkxA:
21.56
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.
2ve3 PUTATIVE CYTOCHROME
P450 120


(Synechocystis
sp. PCC 6803)
PF00067
(p450)
3 ARG A 323
THR A  95
TRP A  80
HEM  A1444 (-2.7A)
None
REA  A1445 ( 3.9A)
1.12A 4ug5A-2ve3A:
undetectable
4ug5A-2ve3A:
20.73
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.
2y7d 3-KETO-5-AMINOHEXANO
ATE CLEAVAGE ENZYME


(Candidatus
Cloacimonas
acidaminovorans)
PF05853
(BKACE)
3 ARG A 260
THR A 201
TRP A 202
None
1.29A 4ug5A-2y7dA:
undetectable
4ug5A-2y7dA:
23.16
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2


(Streptomyces
fradiae)
PF08659
(KR)
3 ARG A 429
THR A 374
TRP A 375
None
1.27A 4ug5A-2z5lA:
undetectable
4ug5A-2z5lA:
22.35
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.
2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA


(Rhodococcus
erythropolis)
PF02211
(NHase_beta)
PF02979
(NHase_alpha)
3 ARG B  56
THR A 115
TRP A 117
CSO  A 114 ( 3.8A)
CSO  A 114 ( 4.0A)
None
1.23A 4ug5A-2zpbB:
undetectable
4ug5A-2zpbB:
22.38
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128)
no annotation 3 ARG A 401
THR A 431
TRP A  48
None
1.17A 4ug5A-3a0fA:
undetectable
4ug5A-3a0fA:
18.40
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.
3di5 DINB-LIKE PROTEIN

(Bacillus cereus)
PF05163
(DinB)
3 ARG A 132
THR A  13
TRP A  12
None
1.25A 4ug5A-3di5A:
undetectable
4ug5A-3di5A:
18.73
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.
3dj4 BIFUNCTIONAL PROTEIN
GLMU


(Mycobacterium
tuberculosis)
PF00132
(Hexapep)
PF12804
(NTP_transf_3)
3 ARG A 253
THR A 271
TRP A 273
None
1.25A 4ug5A-3dj4A:
undetectable
4ug5A-3dj4A:
20.92
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.
3fgw PUTATIVE
PHOSPHOLIPASE B-LIKE
2


(Mus musculus)
PF04916
(Phospholip_B)
3 ARG A 485
THR A 101
TRP A 103
None
1.17A 4ug5A-3fgwA:
undetectable
4ug5A-3fgwA:
19.81
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
3 ARG A 105
THR A  84
TRP A 102
None
None
GOL  A 499 (-3.4A)
1.13A 4ug5A-3g25A:
undetectable
4ug5A-3g25A:
21.50
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.
3gcz POLYPROTEIN

(Yokose virus)
PF01728
(FtsJ)
3 ARG A 209
THR A 242
TRP A  13
None
1.11A 4ug5A-3gczA:
1.3
4ug5A-3gczA:
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.
3gir AMINOMETHYLTRANSFERA
SE


(Bartonella
henselae)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
3 ARG A  94
THR A 258
TRP A 259
None
1.19A 4ug5A-3girA:
undetectable
4ug5A-3girA:
22.25
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C)
3 ARG A1609
THR A1581
TRP A1030
None
0.76A 4ug5A-3hmjA:
0.3
4ug5A-3hmjA:
12.25
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.
3k30 HISTAMINE
DEHYDROGENASE


(Pimelobacter
simplex)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
3 ARG A 495
THR A 564
TRP A 563
None
1.21A 4ug5A-3k30A:
0.5
4ug5A-3k30A:
19.86
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2


(Homo sapiens)
PF01401
(Peptidase_M2)
3 ARG A 245
THR A 608
TRP A 606
None
1.03A 4ug5A-3kbhA:
undetectable
4ug5A-3kbhA:
22.31
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.
3kew DHHA1 DOMAIN PROTEIN

(Clostridium
perfringens)
PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD)
3 ARG A 211
THR A 219
TRP A 212
None
1.28A 4ug5A-3kewA:
undetectable
4ug5A-3kewA:
20.66
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.
3ko7 D-TYROSYL-TRNA(TYR)
DEACYLASE


(Plasmodium
falciparum)
PF02580
(Tyr_Deacylase)
3 ARG A   7
THR A  71
TRP A  72
None
1.15A 4ug5A-3ko7A:
undetectable
4ug5A-3ko7A:
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.
3mq2 16S RRNA
METHYLTRANSFERASE


(Streptoalloteichus
tenebrarius)
PF02390
(Methyltransf_4)
3 ARG A  60
THR A 191
TRP A 193
SAH  A 216 (-4.5A)
SAH  A 216 (-2.7A)
SAH  A 216 (-3.7A)
0.92A 4ug5A-3mq2A:
undetectable
4ug5A-3mq2A:
22.51
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.
3sao EXTRACELLULAR FATTY
ACID-BINDING PROTEIN


(Gallus gallus)
PF00061
(Lipocalin)
3 ARG A 112
THR A  63
TRP A  61
NKN  A 161 (-3.9A)
None
None
1.19A 4ug5A-3saoA:
undetectable
4ug5A-3saoA:
19.72
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.
3sma FRBF

(Streptomyces
rubellomurinus)
PF02522
(Antibiotic_NAT)
3 ARG A  92
THR A  89
TRP A  90
None
1.05A 4ug5A-3smaA:
undetectable
4ug5A-3smaA:
19.35
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER


(Haemophilus
influenzae)
PF02395
(Peptidase_S6)
PF03212
(Pertactin)
3 ARG A 118
THR A 704
TRP A 703
None
1.14A 4ug5A-3syjA:
undetectable
4ug5A-3syjA:
15.33
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE


(Pantoea
ananatis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 ARG A 227
THR A 403
TRP A 404
None
1.26A 4ug5A-3t6cA:
undetectable
4ug5A-3t6cA:
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.
3tqt D-ALANINE--D-ALANINE
LIGASE


(Coxiella
burnetii)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
3 ARG A 177
THR A 160
TRP A 158
None
1.13A 4ug5A-3tqtA:
undetectable
4ug5A-3tqtA:
23.26
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]


(Saccharomyces
cerevisiae)
PF05222
(AlaDh_PNT_N)
3 ARG A 271
THR A 274
TRP A 151
None
1.17A 4ug5A-3ugkA:
undetectable
4ug5A-3ugkA:
21.98
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
3 ARG A 599
THR A 575
TRP A 531
None
0.82A 4ug5A-3wdjA:
undetectable
4ug5A-3wdjA:
19.94
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.
3wiq KOJIBIOSE
PHOSPHORYLASE


(Caldicellulosiruptor
saccharolyticus)
PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N)
3 ARG A 739
THR A 356
TRP A 719
None
1.25A 4ug5A-3wiqA:
undetectable
4ug5A-3wiqA:
19.87
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE


(Rhodococcus
erythropolis)
PF00890
(FAD_binding_2)
3 ARG A 323
THR A 449
TRP A 280
None
None
FAD  A 551 ( 4.7A)
1.21A 4ug5A-4c3yA:
undetectable
4ug5A-4c3yA:
21.16
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 492
THR A 617
TRP A 620
None
1.12A 4ug5A-4c7vA:
0.6
4ug5A-4c7vA:
20.03
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.
4d47 LEVANSUCRASE

(Erwinia
amylovora)
PF02435
(Glyco_hydro_68)
3 ARG A  73
THR A  90
TRP A  93
None
0.71A 4ug5A-4d47A:
undetectable
4ug5A-4d47A:
21.23
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.
4d47 LEVANSUCRASE

(Erwinia
amylovora)
PF02435
(Glyco_hydro_68)
3 ARG A  99
THR A  90
TRP A  93
None
1.25A 4ug5A-4d47A:
undetectable
4ug5A-4d47A:
21.23
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.
4er8 TNPAREP FOR PROTEIN

(Escherichia
coli)
no annotation 3 ARG A   6
THR A  17
TRP A  99
None
1.07A 4ug5A-4er8A:
undetectable
4ug5A-4er8A:
17.91
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.
4flc ADENYLOSUCCINATE
LYASE


(Homo sapiens)
PF00206
(Lyase_1)
PF10397
(ADSL_C)
3 ARG A 338
THR A 119
TRP A  39
None
1.13A 4ug5A-4flcA:
undetectable
4ug5A-4flcA:
22.11
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.
4fm9 DNA TOPOISOMERASE
2-ALPHA


(Homo sapiens)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C)
3 ARG A 793
THR A 934
TRP A 931
None
1.09A 4ug5A-4fm9A:
undetectable
4ug5A-4fm9A:
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.
4fnq ALPHA-GALACTOSIDASE
AGAB


(Geobacillus
stearothermophilus)
PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N)
3 ARG A 316
THR A 310
TRP A 156
None
1.15A 4ug5A-4fnqA:
undetectable
4ug5A-4fnqA:
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.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA


(Pseudomonas sp.
C18)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B)
3 ARG A 218
THR A 212
TRP B 107
None
FE  A 502 ( 4.8A)
None
1.10A 4ug5A-4hjlA:
undetectable
4ug5A-4hjlA:
23.40
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens)
PF00082
(Peptidase_S8)
3 ARG B 462
THR B 429
TRP B 408
CL  B 601 (-3.9A)
None
None
1.17A 4ug5A-4i0wB:
1.0
4ug5A-4i0wB:
21.99
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.
4i59 CYCLOHEXYLAMINE
OXIDASE


(Microbacterium
oxydans)
PF01593
(Amino_oxidase)
3 ARG A  65
THR A 410
TRP A 412
None
None
FAD  A 501 (-3.7A)
1.19A 4ug5A-4i59A:
undetectable
4ug5A-4i59A:
21.91
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.
4j8b COATOMER ALPHA
SUBUNIT


(Schizosaccharomyces
pombe)
PF00400
(WD40)
3 ARG A  34
THR A  28
TRP A  38
None
1.09A 4ug5A-4j8bA:
undetectable
4ug5A-4j8bA:
21.30
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE


(Mammalian
rubulavirus 5)
no annotation 3 ARG D 392
THR D 485
TRP D 467
None
0.85A 4ug5A-4jf7D:
undetectable
4ug5A-4jf7D:
20.90
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2


(Homo sapiens)
PF00561
(Abhydrolase_1)
3 ARG A 516
THR A 360
TRP A 342
None
1LF  A 601 ( 4.0A)
None
1.20A 4ug5A-4jncA:
undetectable
4ug5A-4jncA:
22.03
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.
4jo2 MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY R56 HEAVY
CHAIN


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
3 ARG H  66
THR H  61
TRP H  62
None
1.28A 4ug5A-4jo2H:
undetectable
4ug5A-4jo2H:
21.16
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.
4jo3 MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY R20 HEAVY
CHAIN


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
3 ARG H  66
THR H  61
TRP H  62
None
1.18A 4ug5A-4jo3H:
undetectable
4ug5A-4jo3H:
18.82
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.
4lp4 ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR


(Homo sapiens)
PF00047
(ig)
PF08205
(C2-set_2)
3 ARG A 228
THR A 134
TRP A 230
None
1.03A 4ug5A-4lp4A:
undetectable
4ug5A-4lp4A:
19.00
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.
4lyl URACIL-DNA
GLYCOSYLASE


(Gadus morhua)
PF03167
(UDG)
3 ARG A 237
THR A  88
TRP A  89
None
1.16A 4ug5A-4lylA:
undetectable
4ug5A-4lylA:
17.89
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.
4m0x CHLOROMUCONATE
CYCLOISOMERASE


(Rhodococcus
opacus)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 ARG A 118
THR A 109
TRP A 112
None
1.20A 4ug5A-4m0xA:
undetectable
4ug5A-4m0xA:
21.58
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.
4n3s EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5B


(Saccharomyces
cerevisiae)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
3 ARG A 547
THR A 456
TRP A 610
None
1.25A 4ug5A-4n3sA:
undetectable
4ug5A-4n3sA:
21.27
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A


(Burkholderia
glumae)
PF05853
(BKACE)
3 ARG A 488
THR A 493
TRP A 494
None
1.22A 4ug5A-4nnbA:
undetectable
4ug5A-4nnbA:
20.26
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.
4qb9 ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN


(Mycolicibacterium
smegmatis)
PF13527
(Acetyltransf_9)
PF13530
(SCP2_2)
3 ARG A 188
THR A  34
TRP A  38
None
1.26A 4ug5A-4qb9A:
undetectable
4ug5A-4qb9A:
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.
4r70 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB2


(Rhodopseudomonas
palustris)
PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2)
3 ARG A 481
THR A 460
TRP A 461
None
1.16A 4ug5A-4r70A:
undetectable
4ug5A-4r70A:
19.96
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.
4ry1 PERIPLASMIC SOLUTE
BINDING PROTEIN


(Pectobacterium
atrosepticum)
PF13416
(SBP_bac_8)
3 ARG A 102
THR A 129
TRP A  94
None
1.28A 4ug5A-4ry1A:
undetectable
4ug5A-4ry1A:
21.04
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE


(Streptomyces
platensis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
3 ARG A3230
THR A3749
TRP A3747
None
None
MES  A4004 (-3.5A)
0.97A 4ug5A-4tktA:
undetectable
4ug5A-4tktA:
18.52
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE


(Streptomyces
platensis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
3 ARG A3745
THR A3749
TRP A3747
MES  A4004 ( 4.7A)
None
MES  A4004 (-3.5A)
0.78A 4ug5A-4tktA:
undetectable
4ug5A-4tktA:
18.52
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.
4utf GLYCOSYL HYDROLASE
FAMILY 71


(Bacteroides
xylanisolvens)
PF16317
(Glyco_hydro_99)
3 ARG A 161
THR A 124
TRP A 126
None
None
EDO  A1002 (-3.7A)
1.25A 4ug5A-4utfA:
undetectable
4ug5A-4utfA:
21.71
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.
4ztp HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
3 ARG H  65
THR H  60
TRP H  61
None
1.22A 4ug5A-4ztpH:
undetectable
4ug5A-4ztpH:
19.30
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.
5all SOLUBLE EPOXIDE
HYDROLASE


(Homo sapiens)
PF00561
(Abhydrolase_1)
PF13419
(HAD_2)
3 ARG A 516
THR A 360
TRP A 342
None
SO4  A1550 ( 4.0A)
None
1.28A 4ug5A-5allA:
undetectable
4ug5A-5allA:
19.52
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.
5b2d HN PROTEIN

(Mumps
rubulavirus)
PF00423
(HN)
3 ARG A 409
THR A 502
TRP A 484
None
0.95A 4ug5A-5b2dA:
undetectable
4ug5A-5b2dA:
18.59
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.
5esc HUPZ

(Streptococcus
sp. 'group A')
PF01243
(Putative_PNPOx)
3 ARG A  35
THR A  41
TRP A  37
None
0.94A 4ug5A-5escA:
undetectable
4ug5A-5escA:
15.91
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR


(Homo sapiens)
PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385)
3 ARG A2042
THR A2098
TRP A2101
None
1.14A 4ug5A-5h64A:
undetectable
4ug5A-5h64A:
8.62
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.
5hzr SNF2-FAMILY ATP
DEPENDENT CHROMATIN
REMODELING FACTOR
LIKE PROTEIN


(Thermothelomyces
thermophila)
PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF14619
(SnAC)
3 ARG A 475
THR A 738
TRP A 722
SO4  A1208 (-2.8A)
None
None
1.24A 4ug5A-5hzrA:
undetectable
4ug5A-5hzrA:
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 497
THR A 617
TRP A 620
None
1.20A 4ug5A-5i51A:
1.2
4ug5A-5i51A:
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE


(Porphyromonas
gingivalis)
PF10459
(Peptidase_S46)
3 ARG A 281
THR A 580
TRP A  26
None
1.26A 4ug5A-5jwfA:
undetectable
4ug5A-5jwfA:
18.55
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.
5lf8 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 17


(Homo sapiens)
PF00293
(NUDIX)
3 ARG A 277
THR A 270
TRP A 174
PO4  A 401 (-2.7A)
None
None
1.26A 4ug5A-5lf8A:
undetectable
4ug5A-5lf8A:
19.42
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN


(Idiomarina sp.
A28L)
no annotation 3 ARG D 467
THR D 446
TRP D 447
None
1.28A 4ug5A-5llyD:
undetectable
4ug5A-5llyD:
23.75
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.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE


(Streptomyces
violaceusniger)
PF04820
(Trp_halogenase)
3 ARG A 426
THR A 417
TRP A 420
None
0.87A 4ug5A-5lv9A:
undetectable
4ug5A-5lv9A:
22.95
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.
5n0c TETANUS TOXIN

(Clostridium
tetani)
PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N)
3 ARG A 528
THR A 155
TRP A  44
None
0.96A 4ug5A-5n0cA:
undetectable
4ug5A-5n0cA:
13.40
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.
5o7g ALPHA/BETA HYDROLASE
FAMILY PROTEIN


(Bacillus
coagulans)
no annotation 3 ARG A 121
THR A 231
TRP A 266
None
1.26A 4ug5A-5o7gA:
undetectable
4ug5A-5o7gA:
11.56
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii)
no annotation 3 ARG A 461
THR A 390
TRP A 388
None
1.26A 4ug5A-5oc1A:
undetectable
4ug5A-5oc1A:
20.32
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116)
no annotation 3 ARG A  32
THR A 289
TRP A 293
None
1.04A 4ug5A-5omsA:
undetectable
4ug5A-5omsA:
12.90
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.
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Homo sapiens)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R)
3 ARG A1048
THR A1086
TRP A1089
None
1.20A 4ug5A-5uakA:
undetectable
4ug5A-5uakA:
12.45
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 489
THR A 612
TRP A 615
None
1.28A 4ug5A-5vrbA:
undetectable
4ug5A-5vrbA:
18.99
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Danio rerio)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R)
3 ARG A1056
THR A1094
TRP A1097
None
1.25A 4ug5A-5w81A:
1.8
4ug5A-5w81A:
11.93
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.
5wdu ENVELOPE
GLYCOPROTEIN GP160


(Human
immunodeficiency
virus 1)
no annotation 3 ARG G 350
THR G 394
TRP G 395
None
1.27A 4ug5A-5wduG:
undetectable
4ug5A-5wduG:
13.86
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT
3NT OXYGENASE BETA
SUBUNIT


(Diaphorobacter
sp. DS2)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B)
3 ARG A 216
THR A 210
TRP C 107
None
1.20A 4ug5A-5xbpA:
undetectable
4ug5A-5xbpA:
21.79
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.
5xnm PHOTOSYSTEM II CP47
REACTION CENTER
PROTEIN


(Pisum sativum)
no annotation 3 ARG B 357
THR B 361
TRP B 275
None
1.12A 4ug5A-5xnmB:
undetectable
4ug5A-5xnmB:
20.04
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.
5xog RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE


(Komagataella
phaffii)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
3 ARG C 227
THR C 208
TRP C 209
None
0.83A 4ug5A-5xogC:
undetectable
4ug5A-5xogC:
22.67
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.
5z4i UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 20


(Homo sapiens)
no annotation 3 ARG A  80
THR A  73
TRP A  82
None
1.09A 4ug5A-5z4iA:
undetectable
4ug5A-5z4iA:
12.21
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.
6ehn CARBOHYDRATE
ESTERASE MZ0003


(unidentified
prokaryotic
organism)
no annotation 3 ARG A 137
THR A 211
TRP A 293
None
1.18A 4ug5A-6ehnA:
undetectable
4ug5A-6ehnA:
13.92
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum)
no annotation 3 ARG A  25
THR A 495
TRP A 492
None
1.20A 4ug5A-6ercA:
undetectable
4ug5A-6ercA:
12.08
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE


(Pseudomonas
aeruginosa)
no annotation 3 ARG A 608
THR A 340
TRP A 343
None
1.15A 4ug5A-6fbtA:
undetectable
4ug5A-6fbtA:
17.05