SIMILAR PATTERNS OF AMINO ACIDS FOR 4D7B_A_TCWA1126

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.
1gk2 HISTIDINE
AMMONIA-LYASE


(Pseudomonas
putida)
PF00221
(Lyase_aromatic)
4 LEU A 341
ALA A 204
LEU A 208
THR A 201
None
1.23A 4d7bB-1gk2A:
undetectable
4d7bB-1gk2A:
13.57
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 4d7bB-1gkeA:
22.3
4d7bB-1gkeA:
83.33
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 LYS A  15
LEU A  17
ALA A 108
SER A 117
THR A 119
None
0.68A 4d7bB-1gkeA:
22.3
4d7bB-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.
1gut MOLYBDATE BINDING
PROTEIN II


(Clostridium
pasteurianum)
PF03459
(TOBE)
4 LYS A  18
LEU A  16
ALA A  23
SER A  37
None
0.89A 4d7bB-1gutA:
undetectable
4d7bB-1gutA:
18.80
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE


(Pyrococcus
horikoshii)
PF00291
(PALP)
4 LEU A  94
ALA A  90
LEU A  96
THR A  87
None
0.86A 4d7bB-1j0aA:
undetectable
4d7bB-1j0aA:
19.80
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.
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
0.81A 4d7bB-1k25A:
0.0
4d7bB-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.
1kkh MEVALONATE KINASE

(Methanocaldococcus
jannaschii)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
4 LYS A  86
ALA A  84
LEU A 144
THR A 121
None
1.21A 4d7bB-1kkhA:
0.0
4d7bB-1kkhA:
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.
1miu BREAST CANCER TYPE 2
SUSCEPTIBILITY
PROTEIN


(Mus musculus)
PF09103
(BRCA-2_OB1)
PF09104
(BRCA-2_OB3)
PF09121
(Tower)
PF09169
(BRCA-2_helical)
4 LEU A2906
ALA A2948
LEU A2946
SER A2933
None
0.92A 4d7bB-1miuA:
0.0
4d7bB-1miuA:
11.11
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.
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
1.19A 4d7bB-1nfdE:
0.0
4d7bB-1nfdE:
22.48
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
0.36A 4d7bB-1sn2A:
20.5
4d7bB-1sn2A:
53.08
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.
1t4n RIBONUCLEASE III

(Saccharomyces
cerevisiae)
PF00035
(dsrm)
4 LYS A 443
ALA A 446
LEU A 377
SER A 376
None
0.99A 4d7bB-1t4nA:
undetectable
4d7bB-1t4nA:
18.75
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
0.32A 4d7bB-1tfpA:
19.6
4d7bB-1tfpA:
73.08
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
1.02A 4d7bB-1tfpA:
19.6
4d7bB-1tfpA:
73.08
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.
1uun MSPA

(Mycolicibacterium
smegmatis)
PF09203
(MspA)
4 LEU A  62
ALA A 164
LEU A 166
THR A 176
None
0.63A 4d7bB-1uunA:
undetectable
4d7bB-1uunA:
23.78
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.
1vme FLAVOPROTEIN

(Thermotoga
maritima)
PF00258
(Flavodoxin_1)
4 LYS A  46
LEU A  44
LEU A  53
THR A  79
None
1.12A 4d7bB-1vmeA:
undetectable
4d7bB-1vmeA:
16.34
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.
1xvy SFUA

(Yersinia
enterocolitica)
PF13343
(SBP_bac_6)
4 LYS A 163
LEU A 159
ALA A 306
LEU A 302
None
1.05A 4d7bB-1xvyA:
undetectable
4d7bB-1xvyA:
17.26
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.
1ypo OXIDISED LOW DENSITY
LIPOPROTEIN
(LECTIN-LIKE)
RECEPTOR 1


(Homo sapiens)
PF00059
(Lectin_C)
4 ALA A 253
LEU A 206
SER A 207
THR A 242
None
1.22A 4d7bB-1ypoA:
undetectable
4d7bB-1ypoA:
20.13
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.
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
0.67A 4d7bB-1yr2A:
undetectable
4d7bB-1yr2A:
11.48
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.
2aee OROTATE
PHOSPHORIBOSYLTRANSF
ERASE


(Streptococcus
pyogenes)
PF00156
(Pribosyltran)
4 LEU A 124
ALA A 150
SER A 174
THR A 172
None
1.24A 4d7bB-2aeeA:
undetectable
4d7bB-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
1.24A 4d7bB-2apnA:
undetectable
4d7bB-2apnA:
21.21
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.
2ckx TELOMERE BINDING
PROTEIN TBP1


(Nicotiana
tabacum)
PF00249
(Myb_DNA-binding)
4 LYS A 604
LEU A 619
ALA A 607
LEU A 588
None
1.17A 4d7bB-2ckxA:
undetectable
4d7bB-2ckxA:
18.94
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.
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)
1.05A 4d7bB-2eyqA:
undetectable
4d7bB-2eyqA:
7.79
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.
2h6c CHLOROPHENOL
REDUCTION GENE K


(Desulfitobacterium
dehalogenans)
PF13545
(HTH_Crp_2)
4 LEU A 201
LEU A 198
SER A 195
THR A 193
None
1.09A 4d7bB-2h6cA:
undetectable
4d7bB-2h6cA:
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.
2iu3 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH


(Gallus gallus)
PF01808
(AICARFT_IMPCHas)
PF02142
(MGS)
4 LYS A 332
LEU A 293
LEU A 297
SER A 302
None
1.23A 4d7bB-2iu3A:
undetectable
4d7bB-2iu3A:
13.05
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.
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
1.23A 4d7bB-2ki8A:
undetectable
4d7bB-2ki8A:
22.15
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.
2nlz CEPHALOSPORIN
ACYLASE


(Bacillus
halodurans)
PF01019
(G_glu_transpept)
4 LEU A 208
ALA A  57
LEU A 142
SER A 141
None
1.04A 4d7bB-2nlzA:
undetectable
4d7bB-2nlzA:
14.81
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.
2pv7 T-PROTEIN [INCLUDES:
CHORISMATE MUTASE
(EC 5.4.99.5) (CM)
AND PREPHENATE
DEHYDROGENASE (EC
1.3.1.12) (PDH)]


(Haemophilus
influenzae)
PF02153
(PDH)
4 LEU A 199
ALA A 175
LEU A 177
SER A 151
None
None
None
NAD  A 400 (-3.8A)
0.90A 4d7bB-2pv7A:
undetectable
4d7bB-2pv7A:
19.43
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.
2pvz PRPF METHYLACONITATE
ISOMERASE


(Shewanella
oneidensis)
PF04303
(PrpF)
4 LYS A  59
ALA A  67
SER A  69
THR A  71
CA  A1002 (-3.3A)
None
CA  A1003 (-3.3A)
None
1.15A 4d7bB-2pvzA:
undetectable
4d7bB-2pvzA:
16.88
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.
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)
0.62A 4d7bB-2v9uA:
undetectable
4d7bB-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
1.22A 4d7bB-2vldA:
undetectable
4d7bB-2vldA:
17.70
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.
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 4d7bB-2z5lA:
undetectable
4d7bB-2z5lA:
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.
3b8k DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE


(Homo sapiens)
PF00198
(2-oxoacid_dh)
4 LEU A 482
ALA A 503
SER A 527
THR A 529
None
0.76A 4d7bB-3b8kA:
undetectable
4d7bB-3b8kA:
22.61
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.
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
0.96A 4d7bB-3bdwB:
undetectable
4d7bB-3bdwB:
21.28
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.
3d3d LYSOZYME

(Escherichia
virus Lambda)
PF00959
(Phage_lysozyme)
4 LEU A  12
LEU A  15
SER A  18
THR A  21
None
0.99A 4d7bB-3d3dA:
undetectable
4d7bB-3d3dA:
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.
3dez OROTATE
PHOSPHORIBOSYLTRANSF
ERASE


(Streptococcus
mutans)
PF00156
(Pribosyltran)
4 LEU A 124
ALA A 150
SER A 174
THR A 172
None
1.25A 4d7bB-3dezA:
undetectable
4d7bB-3dezA:
22.59
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.
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
1.13A 4d7bB-3e3mA:
undetectable
4d7bB-3e3mA:
17.82
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 4d7bB-3fc8A:
23.9
4d7bB-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
1.14A 4d7bB-3fetA:
undetectable
4d7bB-3fetA:
26.53
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.
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 4d7bB-3g9hA:
undetectable
4d7bB-3g9hA:
17.76
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)
1.10A 4d7bB-3humA:
undetectable
4d7bB-3humA:
12.77
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.
3hvw DIGUANYLATE-CYCLASE
(DGC)


(Pseudomonas
aeruginosa)
PF00990
(GGDEF)
4 LEU A 267
LEU A 264
SER A 261
THR A 259
None
1.10A 4d7bB-3hvwA:
undetectable
4d7bB-3hvwA:
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE


(Pisum sativum)
PF00171
(Aldedh)
4 LEU A 184
LEU A 157
SER A 235
THR A 237
None
0.85A 4d7bB-3iwkA:
undetectable
4d7bB-3iwkA:
13.32
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.
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
1.26A 4d7bB-3jv7A:
undetectable
4d7bB-3jv7A:
18.80
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.
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
1.05A 4d7bB-3kbhA:
undetectable
4d7bB-3kbhA:
10.98
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia)
PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
4 LEU B 280
LEU B 264
SER B 317
THR B 319
None
0.60A 4d7bB-3prxB:
3.6
4d7bB-3prxB:
6.14
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.
3r9u THIOREDOXIN
REDUCTASE


(Campylobacter
jejuni)
PF07992
(Pyr_redox_2)
4 LEU A 282
ALA A 278
SER A 264
THR A 271
None
1.03A 4d7bB-3r9uA:
undetectable
4d7bB-3r9uA:
18.91
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L


(Escherichia
coli)
no annotation 4 LEU L 347
LEU L 457
SER L 454
THR L 452
None
1.20A 4d7bB-3rkoL:
undetectable
4d7bB-3rkoL:
12.62
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.
3sag EXOSOME COMPONENT 10

(Homo sapiens)
PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1)
4 LEU A 396
ALA A 392
LEU A 398
THR A 389
LEU  A 396 ( 0.6A)
ALA  A 392 ( 0.0A)
LEU  A 398 ( 0.6A)
THR  A 389 ( 0.8A)
0.86A 4d7bB-3sagA:
undetectable
4d7bB-3sagA:
14.59
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.
3t6s CERJ

(Streptomyces
tendae)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 LEU A 240
ALA A 243
LEU A 239
THR A 187
None
0.87A 4d7bB-3t6sA:
undetectable
4d7bB-3t6sA:
16.76
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
1.26A 4d7bB-3tknA:
undetectable
4d7bB-3tknA:
12.58
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.
3uel POLY(ADP-RIBOSE)
GLYCOHYDROLASE


(Rattus
norvegicus)
PF05028
(PARG_cat)
4 LEU A 766
ALA A 633
LEU A 629
SER A 628
None
1.14A 4d7bB-3uelA:
undetectable
4d7bB-3uelA:
13.87
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.
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
0.90A 4d7bB-3uxjA:
undetectable
4d7bB-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.
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
1.20A 4d7bB-3vabA:
undetectable
4d7bB-3vabA:
16.71
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.
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
1.15A 4d7bB-3wdjA:
3.9
4d7bB-3wdjA:
11.37
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
1.25A 4d7bB-4av6A:
undetectable
4d7bB-4av6A:
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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE


(Escherichia
coli)
PF00291
(PALP)
4 LYS A  61
LEU A  63
LEU A 372
THR A 225
None
1.18A 4d7bB-4d9iA:
undetectable
4d7bB-4d9iA:
15.99
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.
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
1.06A 4d7bB-4gw9A:
undetectable
4d7bB-4gw9A:
13.17
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.
4hfo BIOGENIC
AMINE-BINDING
PROTEIN


(Rhodnius
prolixus)
PF02087
(Nitrophorin)
4 LEU A 187
LEU A  46
SER A  22
THR A  20
None
1.06A 4d7bB-4hfoA:
undetectable
4d7bB-4hfoA:
21.61
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.
4ija XYLR PROTEIN

(Staphylococcus
aureus)
PF00480
(ROK)
PF01047
(MarR)
4 LEU A  41
LEU A  38
SER A  35
THR A  33
None
1.07A 4d7bB-4ijaA:
undetectable
4d7bB-4ijaA:
15.11
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.
4ivn TRANSCRIPTIONAL
REGULATOR


(Vibrio
vulnificus)
PF01380
(SIS)
PF01418
(HTH_6)
4 LEU A 207
ALA A 225
LEU A 223
THR A 108
None
1.22A 4d7bB-4ivnA:
undetectable
4d7bB-4ivnA:
17.39
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.
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
0.71A 4d7bB-4mr0A:
undetectable
4d7bB-4mr0A:
12.54
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens)
PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN)
4 ALA A 485
LEU A 545
SER A 546
THR A 501
None
1.05A 4d7bB-4o9xA:
undetectable
4d7bB-4o9xA:
4.82
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.
4q9z HUMAN PROTEIN KINASE
C THETA


(Homo sapiens)
PF00069
(Pkinase)
PF00433
(Pkinase_C)
4 LYS A 409
LEU A 411
LEU A 454
THR A 447
None
None
None
SEP  A 695 ( 4.8A)
0.64A 4d7bB-4q9zA:
undetectable
4d7bB-4q9zA:
14.89
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.
4qyb UNCHARACTERIZED
PROTEIN


(Burkholderia
cenocepacia)
PF10765
(DUF2591)
4 LEU A  98
ALA A 102
SER A  94
THR A 105
None
0.88A 4d7bB-4qybA:
undetectable
4d7bB-4qybA:
24.29
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.
4raj HEME OXYGENASE

(Chlamydomonas
reinhardtii)
PF01126
(Heme_oxygenase)
4 LEU A  90
ALA A 149
LEU A 184
SER A 180
None
1.12A 4d7bB-4rajA:
undetectable
4d7bB-4rajA:
20.48
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.
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
0.60A 4d7bB-4tr6A:
undetectable
4d7bB-4tr6A:
15.16
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.
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)
0.97A 4d7bB-4w65A:
undetectable
4d7bB-4w65A:
20.59
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.
4zmm DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa)
PF00990
(GGDEF)
4 LYS A 331
LEU A 327
ALA A 330
SER A 340
None
1.21A 4d7bB-4zmmA:
undetectable
4d7bB-4zmmA:
18.94
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.
5a1q AF1502

(Archaeoglobus
fulgidus)
no annotation 4 LYS A  12
LEU A   8
ALA A  19
LEU A  23
None
1.16A 4d7bB-5a1qA:
undetectable
4d7bB-5a1qA:
17.69
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.
5a7d INSCUTEABLE

(Drosophila
melanogaster)
no annotation 4 LEU L 446
ALA L 379
LEU L 374
SER L 370
None
0.93A 4d7bB-5a7dL:
undetectable
4d7bB-5a7dL:
15.90
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.
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)
1.20A 4d7bB-5c3cA:
undetectable
4d7bB-5c3cA:
18.93
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.
5dll AMINOPEPTIDASE N

(Francisella
tularensis)
PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C)
4 LEU A 763
ALA A 749
LEU A 745
SER A 779
None
1.06A 4d7bB-5dllA:
undetectable
4d7bB-5dllA:
9.72
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL


(Homo sapiens)
PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3)
4 LYS A 856
LEU A 839
ALA A 853
THR A 849
None
1.20A 4d7bB-5dotA:
undetectable
4d7bB-5dotA:
6.49
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.
5ei0 SERPIN A12

(Homo sapiens)
PF00079
(Serpin)
4 LYS A 155
LEU A 151
ALA A 160
THR A 137
None
1.25A 4d7bB-5ei0A:
undetectable
4d7bB-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
1.11A 4d7bB-5emwA:
1.8
4d7bB-5emwA:
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.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE


(Deinococcus
radiodurans)
PF01368
(DHH)
PF02272
(DHHA1)
4 LEU A 212
LEU A 215
SER A  86
THR A  88
None
1.09A 4d7bB-5f56A:
undetectable
4d7bB-5f56A:
10.17
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7)
PF00704
(Glyco_hydro_18)
4 LEU B 798
ALA B 741
SER B 791
THR B 765
None
1.08A 4d7bB-5gztB:
undetectable
4d7bB-5gztB:
7.89
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7)
PF00704
(Glyco_hydro_18)
4 LEU A 798
ALA A 741
SER A 791
THR A 765
None
1.06A 4d7bB-5gzuA:
undetectable
4d7bB-5gzuA:
9.24
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.
5h9k LIPOCALIN AI-4

(Rhodnius
prolixus)
PF03973
(Triabin)
4 LEU A 108
LEU A 124
SER A  36
THR A  34
None
0.95A 4d7bB-5h9kA:
undetectable
4d7bB-5h9kA:
21.60
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.
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)
0.99A 4d7bB-5hpiA:
undetectable
4d7bB-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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa)
PF13402
(Peptidase_M60)
4 LEU A 377
LEU A 374
SER A 371
THR A 369
None
1.24A 4d7bB-5kdxA:
undetectable
4d7bB-5kdxA:
8.81
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.
5kis RHS2

(Yersinia
entomophaga)
no annotation 4 LEU B 165
ALA B 161
LEU B 167
THR B 159
None
1.01A 4d7bB-5kisB:
undetectable
4d7bB-5kisB:
10.93
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.
5kjv HYDROXYCINNAMOYL
TRANSFERASE


(Plectranthus
scutellarioides)
PF02458
(Transferase)
4 LEU A  60
ALA A  63
SER A 169
THR A 167
None
1.26A 4d7bB-5kjvA:
undetectable
4d7bB-5kjvA:
14.49
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.
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
0.64A 4d7bB-5mq6A:
undetectable
4d7bB-5mq6A:
12.99
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 4 LEU A 608
ALA A 524
LEU A  49
THR A 520
None
1.15A 4d7bB-5nd1A:
undetectable
4d7bB-5nd1A:
20.30
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.
5ng5 MULTIDRUG EFFLUX
PUMP SUBUNIT ACRA


(Escherichia
coli)
no annotation 4 LEU E 348
ALA E 305
LEU E 307
THR E  47
None
1.19A 4d7bB-5ng5E:
undetectable
4d7bB-5ng5E:
15.98
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A


(Methanothermococcus
thermolithotrophicus)
PF00374
(NiFeSe_Hases)
4 LEU F 326
ALA F 330
SER F 293
THR F 291
None
1.21A 4d7bB-5odrF:
undetectable
4d7bB-5odrF:
14.38
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.
5opt RIBOSOMAL PROTEIN
S25, PUTATIVE


(Trypanosoma
cruzi)
no annotation 4 LYS a  84
LEU a  81
ALA a  83
SER a  72
A  E2065 ( 3.4A)
None
None
None
0.92A 4d7bB-5opta:
undetectable
4d7bB-5opta:
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.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN


(Mycobacterium
tuberculosis)
PF00291
(PALP)
4 LEU B 140
ALA B 136
LEU B 142
THR B 133
None
0.83A 4d7bB-5tchB:
undetectable
4d7bB-5tchB:
15.06
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.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL


(Aspergillus
fumigatus)
no annotation 4 LEU A 300
LEU A 297
SER A 294
THR A 279
None
1.12A 4d7bB-5uqrA:
undetectable
4d7bB-5uqrA:
20.30
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.
5uyt ICE-BINDING PROTEIN

(Flavobacteriaceae
bacterium
3519-10)
no annotation 4 LEU A 105
ALA A 122
LEU A 124
SER A 150
None
0.81A 4d7bB-5uytA:
undetectable
4d7bB-5uytA:
13.48
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.
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 4d7bB-5vbbA:
undetectable
4d7bB-5vbbA:
17.18
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.
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
1.06A 4d7bB-5w81A:
undetectable
4d7bB-5w81A:
6.51
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.
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 4d7bB-5wp4A:
undetectable
4d7bB-5wp4A:
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.
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 4d7bB-5wp5A:
undetectable
4d7bB-5wp5A:
15.08
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.
6b0n PGV19 LIGHT CHAIN

(Homo sapiens)
no annotation 4 LEU E 132
ALA E 130
LEU E 178
THR E 181
None
1.12A 4d7bB-6b0nE:
3.3
4d7bB-6b0nE:
18.97
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.
6cf8 LYTIC
TRANSGLYCOSYLASE


(Campylobacter
jejuni)
no annotation 4 LYS A 181
LEU A 174
SER A 207
THR A 176
None
1.26A 4d7bB-6cf8A:
undetectable
4d7bB-6cf8A:
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.
6dt3 NUCLEOSIDE
TRIPHOSPHATASE NUDI


(Klebsiella
pneumoniae)
no annotation 4 LEU A 122
LEU A 141
SER A 136
THR A 134
None
1.26A 4d7bB-6dt3A:
undetectable
4d7bB-6dt3A:
21.82
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.
6f3d INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 4


(Homo sapiens)
no annotation 4 LYS A 213
LEU A 215
LEU A 258
SER A 253
CJT  A 502 (-3.0A)
None
None
None
1.13A 4d7bB-6f3dA:
undetectable
4d7bB-6f3dA:
16.41
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.
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
1.25A 4d7bB-6gneA:
undetectable
4d7bB-6gneA:
undetectable