SIMILAR PATTERNS OF AMINO ACIDS FOR 2I91_A_ACTA601

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.
1a59 CITRATE SYNTHASE

(Antarctic
bacterium
DS2-3R)
PF00285
(Citrate_synt)
4 TYR A  50
ALA A  65
SER A  61
ASN A  59
None
1.07A 2i91A-1a59A:
undetectable
2i91A-1a59A:
21.54
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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)


(Escherichia
coli)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 TYR A 140
SER A  33
ALA A  34
ASN A 150
None
1.07A 2i91A-1fcpA:
undetectable
2i91A-1fcpA:
21.31
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.
1h6w BACTERIOPHAGE T4
SHORT TAIL FIBRE


(Escherichia
virus T4)
PF07484
(Collar)
PF09089
(gp12-short_mid)
4 SER A 368
ALA A 369
SER A 370
SER A 388
None
0.96A 2i91A-1h6wA:
undetectable
2i91A-1h6wA:
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.
1hfh FACTOR H, 15TH AND
16TH C-MODULE PAIR


(Homo sapiens)
PF00084
(Sushi)
4 TYR A  26
SER A  19
SER A  18
SER A  21
None
1.03A 2i91A-1hfhA:
undetectable
2i91A-1hfhA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hfi FACTOR H, 15TH
C-MODULE PAIR


(Homo sapiens)
PF00084
(Sushi)
4 TYR A  26
SER A  19
SER A  18
SER A  21
None
1.06A 2i91A-1hfiA:
undetectable
2i91A-1hfiA:
8.06
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.
1ind IGG1-LAMBDA CHA255
FAB (HEAVY CHAIN)


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 SER H 202
ALA H 201
SER H 203
THR H 204
None
1.08A 2i91A-1indH:
undetectable
2i91A-1indH:
17.86
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.
1iug PUTATIVE ASPARTATE
AMINOTRANSFERASE


(Thermus
thermophilus)
PF00266
(Aminotran_5)
4 SER A 130
SER A 281
SER A 163
THR A 162
None
None
None
LLP  A 185 ( 3.4A)
1.06A 2i91A-1iugA:
3.9
2i91A-1iugA:
22.14
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum)
PF00759
(Glyco_hydro_9)
PF00942
(CBM_3)
4 SER A 159
ALA A  71
SER A  70
SER A 155
None
0.91A 2i91A-1k72A:
undetectable
2i91A-1k72A:
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.
1khd ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE


(Pectobacterium
carotovorum)
PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
4 SER A 106
ALA A 107
SER A 103
ASN A 101
None
1.00A 2i91A-1khdA:
2.9
2i91A-1khdA:
19.85
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.
1lrz FACTOR ESSENTIAL FOR
EXPRESSION OF
METHICILLIN
RESISTANCE


(Staphylococcus
aureus)
PF02388
(FemAB)
4 TYR A 327
SER A 314
ALA A 315
THR A 332
None
0.90A 2i91A-1lrzA:
2.9
2i91A-1lrzA:
22.18
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB


(Escherichia
coli)
PF08501
(Shikimate_dh_N)
4 ALA A 135
SER A 136
THR A 204
ASN A 202
NAI  A 301 (-3.7A)
None
NAI  A 301 (-4.4A)
None
0.97A 2i91A-1o9bA:
undetectable
2i91A-1o9bA:
19.26
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.
1ocy BACTERIOPHAGE T4
SHORT TAIL FIBRE


(Escherichia
virus T4)
PF07484
(Collar)
PF14928
(S_tail_recep_bd)
4 SER A 368
ALA A 369
SER A 370
SER A 388
None
0.93A 2i91A-1ocyA:
undetectable
2i91A-1ocyA:
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.
1oul STRINGENT STARVATION
PROTEIN B HOMOLOG


(Haemophilus
influenzae)
PF04386
(SspB)
4 SER A  55
ALA A  56
SER A  57
THR A  26
None
0.79A 2i91A-1oulA:
undetectable
2i91A-1oulA:
13.25
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.
1p33 PTERIDINE REDUCTASE
1


(Leishmania
tarentolae)
PF13561
(adh_short_C2)
4 TYR A 114
SER A 146
SER A 112
SER A  67
None
NDP  A 300 ( 4.0A)
NDP  A 300 (-4.2A)
NDP  A 300 (-4.5A)
1.01A 2i91A-1p33A:
4.5
2i91A-1p33A:
21.53
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.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, B
CHAIN PRECURSOR


(Homo sapiens)
PF00386
(C1q)
4 SER B 148
ALA B 147
SER B 213
SER B 149
None
1.08A 2i91A-1pk6B:
undetectable
2i91A-1pk6B:
11.26
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.
1q0p COMPLEMENT FACTOR B

(Homo sapiens)
PF00092
(VWA)
4 SER A 253
SER A 255
THR A 328
ASN A 368
MN  A 500 (-2.1A)
MN  A 500 (-2.1A)
MN  A 500 (-2.8A)
None
0.24A 2i91A-1q0pA:
10.7
2i91A-1q0pA:
18.87
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.
1rtk COMPLEMENT FACTOR B

(Homo sapiens)
PF00089
(Trypsin)
PF00092
(VWA)
4 SER A 253
SER A 255
THR A 328
ASN A 368
MG  A 749 (-2.3A)
MG  A 749 (-2.4A)
MG  A 749 (-2.9A)
None
0.35A 2i91A-1rtkA:
6.4
2i91A-1rtkA:
22.78
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.
1twb STRINGENT STARVATION
PROTEIN B HOMOLOG


(Haemophilus
influenzae)
PF04386
(SspB)
4 SER A  55
ALA A  56
SER A  57
THR A  26
None
0.82A 2i91A-1twbA:
undetectable
2i91A-1twbA:
11.18
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.
1tzn ANTHRAX TOXIN
RECEPTOR 2


(Homo sapiens)
PF03495
(Binary_toxB)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3)
4 TYR a1046
ALA a1171
SER a1140
THR a1139
None
1.04A 2i91A-1tzna:
12.8
2i91A-1tzna:
16.35
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.
1v6c ALKALINE SERINE
PROTEASE


(Pseudoalteromonas
sp. AS-11)
PF00082
(Peptidase_S8)
PF02225
(PA)
4 SER A 170
ALA A 169
SER A 176
SER A 166
None
0.99A 2i91A-1v6cA:
3.4
2i91A-1v6cA:
21.83
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.
1wod MODA

(Escherichia
coli)
PF13531
(SBP_bac_11)
4 TYR A 170
ALA A  11
SER A  12
SER A  38
WO4  A 234 ( 4.5A)
WO4  A 234 (-3.7A)
WO4  A 234 ( 2.7A)
WO4  A 234 ( 4.4A)
0.93A 2i91A-1wodA:
undetectable
2i91A-1wodA:
19.77
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.
1xez HEMOLYSIN

(Vibrio cholerae)
PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec)
4 SER A 505
ALA A 506
SER A 507
SER A 494
None
0.92A 2i91A-1xezA:
undetectable
2i91A-1xezA:
22.48
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.
1xzw PURPLE ACID
PHOSPHATASE


(Ipomoea batatas)
PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N)
4 TYR A 326
SER A 379
ALA A 380
SER A 329
None
1.07A 2i91A-1xzwA:
undetectable
2i91A-1xzwA:
21.09
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.
1yb1 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
TYPE XI


(Homo sapiens)
PF00106
(adh_short)
4 SER A 256
SER A 225
THR A 226
ASN A 223
CL  A 401 (-2.9A)
None
CL  A 401 ( 4.8A)
None
0.89A 2i91A-1yb1A:
4.5
2i91A-1yb1A:
19.74
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.
1yjk PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE


(Rattus
norvegicus)
PF01082
(Cu2_monooxygen)
PF03712
(Cu2_monoox_C)
4 SER A 102
ALA A 101
SER A 187
THR A 105
None
1.08A 2i91A-1yjkA:
undetectable
2i91A-1yjkA:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yvp 60-KDA SS-A/RO
RIBONUCLEOPROTEIN


(Xenopus laevis)
PF05731
(TROVE)
7 TYR A  47
SER A 378
ALA A 379
SER A 380
SER A 444
THR A 445
ASN A 473
None
MG  A1001 ( 2.2A)
ACT  A2001 (-4.0A)
MG  A1001 ( 2.1A)
ACT  A2001 (-4.3A)
MG  A1001 ( 2.9A)
ACT  A2001 (-3.1A)
0.30A 2i91A-1yvpA:
62.1
2i91A-1yvpA:
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.
2b4x ANTITHROMBIN-III

(Homo sapiens)
PF00079
(Serpin)
4 TYR I 131
SER I  82
THR I  85
ASN I 144
None
0.91A 2i91A-2b4xI:
undetectable
2i91A-2b4xI:
22.62
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.
2fgq OUTER MEMBRANE PORIN
PROTEIN 32


(Delftia
acidovorans)
PF13609
(Porin_4)
4 SER X 184
ALA X 185
SER X 186
ASN X 149
None
0.96A 2i91A-2fgqX:
undetectable
2i91A-2fgqX:
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT


(Escherichia
coli)
PF00456
(Transketolase_N)
4 ALA A 580
SER A 584
THR A 587
ASN A 588
None
1.00A 2i91A-2g28A:
2.1
2i91A-2g28A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfg BH2851

(Bacillus
halodurans)
PF01928
(CYTH)
4 TYR A  39
SER A 140
SER A 122
THR A 123
None
1.06A 2i91A-2gfgA:
undetectable
2i91A-2gfgA:
17.86
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.
2odp COMPLEMENT C2

(Homo sapiens)
PF00089
(Trypsin)
PF00092
(VWA)
4 SER A 242
SER A 244
THR A 317
ASN A 360
MG  A 901 (-1.9A)
MG  A 901 (-2.2A)
MG  A 901 (-2.6A)
None
0.24A 2i91A-2odpA:
11.6
2i91A-2odpA:
22.37
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.
2oxf URIDINE
PHOSPHORYLASE


(Salmonella
enterica)
PF01048
(PNP_UDP_1)
4 SER A1113
ALA A1200
SER A1199
THR A1156
None
0.85A 2i91A-2oxfA:
undetectable
2i91A-2oxfA:
18.13
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.
2qhx PTERIDINE REDUCTASE
1


(Leishmania
major)
PF00106
(adh_short)
PF13561
(adh_short_C2)
4 TYR A 114
SER A 146
SER A 112
SER A  67
None
NAP  A1300 ( 4.3A)
NAP  A1300 (-4.1A)
None
0.98A 2i91A-2qhxA:
4.3
2i91A-2qhxA:
19.71
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE


(Paraburkholderia
xenovorans)
PF12697
(Abhydrolase_6)
4 SER A   8
SER A  10
THR A   9
ASN A  28
None
1.03A 2i91A-2ri6A:
4.1
2i91A-2ri6A:
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN


(Azospirillum
brasilense)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
4 SER A1247
SER A1248
THR A1251
ASN A 923
None
1.01A 2i91A-2vdcA:
undetectable
2i91A-2vdcA:
15.74
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.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN


(Synechocystis
sp. PCC 6803)
PF13343
(SBP_bac_6)
4 ALA A 175
SER A 176
SER A 172
ASN A 262
None
1.06A 2i91A-2vp1A:
undetectable
2i91A-2vp1A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x3h K5 LYASE

(Escherichia
virus K1-5)
no annotation 4 ALA A 322
SER A 345
THR A 346
ASN A 381
None
1.03A 2i91A-2x3hA:
undetectable
2i91A-2x3hA:
21.81
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.
2xgg MICRONEME PROTEIN 2

(Toxoplasma
gondii)
PF00092
(VWA)
4 SER A  84
SER A  86
SER A 154
THR A 155
None
0.67A 2i91A-2xggA:
undetectable
2i91A-2xggA:
15.86
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens)
PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA)
4 SER F 253
SER F 255
THR F 328
ASN F 368
MG  F1742 (-2.0A)
MG  F1742 (-2.0A)
MG  F1742 (-2.1A)
None
0.58A 2i91A-2xwbF:
9.1
2i91A-2xwbF:
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.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli)
PF00535
(Glycos_transf_2)
4 TYR A 415
SER A 541
THR A 127
ASN A 327
None
1.02A 2i91A-2z87A:
undetectable
2i91A-2z87A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE


(Thermus
thermophilus)
PF05175
(MTS)
4 SER A 190
ALA A 191
THR A 199
ASN A 278
None
1.02A 2i91A-2zwvA:
2.5
2i91A-2zwvA:
23.89
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN


(Escherichia
coli;
Escherichia
coli)
PF06751
(EutB)
PF05985
(EutC)
4 ALA B 173
SER B 170
SER B 237
ASN A 403
None
None
None
B12  B 601 ( 4.2A)
0.87A 2i91A-3anyB:
3.5
2i91A-3anyB:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21


(Actinoplanes
teichomyceticus)
PF02585
(PIG-L)
4 TYR A 226
SER A  14
ALA A  20
THR A  42
None
0.91A 2i91A-3dfiA:
undetectable
2i91A-3dfiA:
20.67
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN


(Aeropyrum
pernix)
PF13458
(Peripla_BP_6)
4 SER A 145
ALA A 146
SER A 147
THR A 129
None
GOL  A 500 ( 4.2A)
GOL  A 500 (-3.5A)
None
1.06A 2i91A-3eafA:
5.3
2i91A-3eafA:
21.72
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.
3ll7 PUTATIVE
METHYLTRANSFERASE


(Porphyromonas
gingivalis)
no annotation 4 SER A  85
ALA A 107
SER A 110
SER A  82
None
1.06A 2i91A-3ll7A:
undetectable
2i91A-3ll7A:
23.45
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.
3lwd 6-PHOSPHOGLUCONOLACT
ONASE


(Chromohalobacter
salexigens)
PF01182
(Glucosamine_iso)
4 SER A 174
ALA A 175
SER A 176
THR A 154
None
1.02A 2i91A-3lwdA:
undetectable
2i91A-3lwdA:
20.45
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.
3m6i L-ARABINITOL
4-DEHYDROGENASE


(Neurospora
crassa)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 SER A  80
ALA A  81
SER A  49
THR A  50
None
1.04A 2i91A-3m6iA:
3.6
2i91A-3m6iA:
21.53
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.
3nmb PUTATIVE SUGAR
HYDROLASE


(Bacteroides
ovatus)
PF06439
(DUF1080)
4 SER A 186
ALA A 193
SER A 184
ASN A 168
None
0.73A 2i91A-3nmbA:
undetectable
2i91A-3nmbA:
19.76
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.
3o44 HEMOLYSIN

(Vibrio cholerae)
PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec)
4 SER A 505
ALA A 506
SER A 507
SER A 494
None
0.93A 2i91A-3o44A:
undetectable
2i91A-3o44A:
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.
3rag UNCHARACTERIZED
PROTEIN


(Alicyclobacillus
acidocaldarius)
PF00092
(VWA)
4 SER A 141
ALA A 142
SER A 143
ASN A  19
NA  A 240 (-2.6A)
None
NA  A 240 (-2.5A)
None
0.67A 2i91A-3ragA:
3.2
2i91A-3ragA:
18.89
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.
3rag UNCHARACTERIZED
PROTEIN


(Alicyclobacillus
acidocaldarius)
PF00092
(VWA)
4 SER A 141
ALA A 142
THR A 209
ASN A  19
NA  A 240 (-2.6A)
None
NA  A 240 ( 4.6A)
None
0.64A 2i91A-3ragA:
3.2
2i91A-3ragA:
18.89
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.
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE


(Campylobacter
jejuni)
PF00215
(OMPdecase)
4 TYR A 128
ALA A  87
SER A  88
SER A 114
None
1.05A 2i91A-3ru6A:
undetectable
2i91A-3ru6A:
21.35
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.
3suc PRENECK APPENDAGE
PROTEIN


(Bacillus virus
phi29)
PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3)
4 SER A 591
SER A 590
SER A 607
THR A 606
None
1.08A 2i91A-3sucA:
undetectable
2i91A-3sucA:
20.96
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.
3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E


(Homo sapiens)
PF00067
(p450)
4 SER A 358
ALA A 359
SER A 360
ASN A 289
None
None
0GV  A 602 ( 3.1A)
HEM  A 601 (-4.1A)
0.98A 2i91A-3v8dA:
undetectable
2i91A-3v8dA:
22.18
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.
3vx8 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7


(Arabidopsis
thaliana)
no annotation 4 SER D 207
ALA D 214
SER D 215
SER D 209
None
0.89A 2i91A-3vx8D:
undetectable
2i91A-3vx8D:
20.88
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.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE


(Vibrio
parahaemolyticus)
PF01522
(Polysacc_deac_1)
4 SER A 204
SER A 124
SER A 184
THR A 183
None
1.05A 2i91A-3wx7A:
undetectable
2i91A-3wx7A:
22.14
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.
4ci7 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)


(Clostridioides
difficile)
PF00112
(Peptidase_C1)
4 ALA A 265
SER A 120
SER A 235
ASN A 165
None
1.01A 2i91A-4ci7A:
undetectable
2i91A-4ci7A:
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN


(Bacteroides
thetaiotaomicron)
PF14660
(DUF4458)
4 TYR A 672
SER A 704
ALA A 703
SER A 676
None
1.08A 2i91A-4ecnA:
undetectable
2i91A-4ecnA:
20.09
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.
4fuk METHIONINE
AMINOPEPTIDASE


(Trypanosoma
brucei)
PF00557
(Peptidase_M24)
4 TYR A 178
SER A 100
ALA A  99
SER A  98
None
0.97A 2i91A-4fukA:
undetectable
2i91A-4fukA:
22.08
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.
4g6u EC869 CDIA-CT
EC869 CDII


(Escherichia
coli;
Escherichia
coli)
no annotation
PF07262
(CdiI)
4 TYR B 142
SER A 254
SER A 253
THR A 252
None
1.00A 2i91A-4g6uB:
undetectable
2i91A-4g6uB:
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.
4h3t CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY


(Acidimicrobium
ferrooxidans)
PF09481
(CRISPR_Cse1)
4 SER A 169
ALA A 170
SER A 171
SER A 370
None
0.96A 2i91A-4h3tA:
undetectable
2i91A-4h3tA:
21.73
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.
4hr6 LECTIN

(Trichosanthes
anguina)
PF00652
(Ricin_B_lectin)
4 SER C 124
ALA C 125
SER C 126
SER C 212
None
0.60A 2i91A-4hr6C:
undetectable
2i91A-4hr6C:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus)
PF13472
(Lipase_GDSL_2)
4 ALA A  46
SER A  47
THR A  73
ASN A  70
None
1.06A 2i91A-4hyqA:
4.2
2i91A-4hyqA:
18.06
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.
4lhq CAMELID NANOBODY

(Vicugna pacos)
PF07686
(V-set)
4 SER B  56
ALA B  55
SER B  54
SER B  57
None
0.99A 2i91A-4lhqB:
undetectable
2i91A-4lhqB:
13.81
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.
4n6d TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT


(Desulfovibrio
salexigens)
PF03480
(DctP)
4 SER A 117
ALA A 120
SER A 121
SER A 147
None
0.82A 2i91A-4n6dA:
undetectable
2i91A-4n6dA:
21.73
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae)
PF01522
(Polysacc_deac_1)
4 SER A 208
SER A 128
SER A 188
THR A 187
None
1.06A 2i91A-4nz5A:
undetectable
2i91A-4nz5A:
20.95
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.
4okr MICRONEMAL PROTEIN
MIC2


(Toxoplasma
gondii)
PF00090
(TSP_1)
PF00092
(VWA)
4 SER A  84
SER A  86
SER A 154
THR A 155
None
0.82A 2i91A-4okrA:
6.1
2i91A-4okrA:
19.21
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.
4oku MICRONEMAL PROTEIN
MIC2


(Toxoplasma
gondii)
PF00090
(TSP_1)
PF00092
(VWA)
4 SER A  84
SER A  86
SER A 154
THR A 155
None
0.87A 2i91A-4okuA:
9.2
2i91A-4okuA:
21.32
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.
4qi4 CELLOBIOSE
DEHYDROGENASE


(Crassicarpon
hotsonii)
PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
4 SER A 264
ALA A 263
THR A 265
ASN A 267
None
1.03A 2i91A-4qi4A:
undetectable
2i91A-4qi4A:
22.20
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.
4qi6 CELLOBIOSE
DEHYDROGENASE


(Crassicarpon
hotsonii)
PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt)
4 SER A 264
ALA A 263
THR A 265
ASN A 267
None
1.05A 2i91A-4qi6A:
undetectable
2i91A-4qi6A:
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.
4r2w URIDINE
PHOSPHORYLASE


(Shewanella
oneidensis)
PF01048
(PNP_UDP_1)
4 SER A 110
ALA A 197
SER A 196
THR A 153
None
0.79A 2i91A-4r2wA:
undetectable
2i91A-4r2wA:
17.24
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.
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE


(Staphylococcus
aureus)
PF00388
(PI-PLC-X)
4 TYR A 134
SER A  71
ALA A  70
ASN A  74
None
1.05A 2i91A-4rv3A:
undetectable
2i91A-4rv3A:
20.50
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.
4w8x CRISPR SYSTEM CMR
SUBUNIT CMR1-1


(Pyrococcus
furiosus)
PF03787
(RAMPs)
4 SER A  10
SER A 119
SER A  13
THR A  14
None
0.93A 2i91A-4w8xA:
undetectable
2i91A-4w8xA:
19.20
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.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY


(Trichoderma
reesei)
PF13426
(PAS_9)
4 TYR A 114
SER A  68
ALA A  69
SER A  70
None
0.99A 2i91A-4wujA:
undetectable
2i91A-4wujA:
12.27
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.
4ymk ACYL-COA DESATURASE
1


(Mus musculus)
PF00487
(FA_desaturase)
4 SER A 305
ALA A 306
SER A 307
THR A 317
None
0.79A 2i91A-4ymkA:
undetectable
2i91A-4ymkA:
21.72
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.
4z2a FURIN

(Homo sapiens)
PF00082
(Peptidase_S8)
PF01483
(P_proprotein)
5 SER A 370
SER A 342
SER A 368
THR A 367
ASN A 295
None
None
PO4  A 605 ( 3.9A)
None
EDO  A 607 ( 3.9A)
1.18A 2i91A-4z2aA:
3.3
2i91A-4z2aA:
22.18
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.
4zyo ACYL-COA DESATURASE

(Homo sapiens)
no annotation 4 SER A 309
ALA A 310
SER A 311
THR A 321
None
0.79A 2i91A-4zyoA:
undetectable
2i91A-4zyoA:
19.37
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.
5b1q U14 PROTEIN

(Human
betaherpesvirus
6B)
PF04637
(Herpes_pp85)
4 SER A 441
ALA A 440
THR A 387
ASN A 384
None
0.94A 2i91A-5b1qA:
undetectable
2i91A-5b1qA:
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.
5e6k POLYKETIDE SYNTHASE
PKSL


(Bacillus
subtilis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
4 TYR A 199
SER A 169
ALA A 347
SER A 346
None
0.98A 2i91A-5e6kA:
undetectable
2i91A-5e6kA:
19.97
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.
5exr DNA POLYMERASE ALPHA
SUBUNIT B


(Homo sapiens)
PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N)
4 SER D 418
SER D 415
THR D 413
ASN D 368
None
1.05A 2i91A-5exrD:
undetectable
2i91A-5exrD:
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.
5g5d CELLULOSOMAL-SCAFFOL
DING PROTEIN A


(Ruminiclostridium
thermocellum)
PF00404
(Dockerin_1)
PF13620
(CarboxypepD_reg)
4 SER B 159
SER B 158
THR B 157
ASN B 107
None
0.89A 2i91A-5g5dB:
undetectable
2i91A-5g5dB:
16.91
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.
5hy5 TRYPTOPHAN
6-HALOGENASE


(Streptomyces
toxytricini)
PF04820
(Trp_halogenase)
4 TYR A 394
SER A 356
ALA A 351
SER A 344
None
1.02A 2i91A-5hy5A:
2.1
2i91A-5hy5A:
23.12
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.
5ie2 OXALATE--COA LIGASE

(Arabidopsis
thaliana)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 ALA A 230
SER A 225
SER A 205
THR A 206
None
1.05A 2i91A-5ie2A:
undetectable
2i91A-5ie2A:
22.39
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.
5j8n EXODEOXYRIBONUCLEASE
III


(Methanosarcina
mazei)
PF03372
(Exo_endo_phos)
4 SER A 239
ALA A 238
SER A 237
ASN A   6
None
1.05A 2i91A-5j8nA:
undetectable
2i91A-5j8nA:
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.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum)
PF00026
(Asp)
4 SER A  61
ALA A  60
SER A  63
ASN A  25
None
1.07A 2i91A-5jodA:
undetectable
2i91A-5jodA:
22.26
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.
5jw7 E3 UBIQUITIN-PROTEIN
LIGASE SOPA


(Salmonella
enterica)
PF13599
(Pentapeptide_4)
PF13981
(SopA)
4 SER A 231
ALA A 200
SER A 198
ASN A 227
None
1.05A 2i91A-5jw7A:
undetectable
2i91A-5jw7A:
18.92
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA


(Mycobacterium
tuberculosis)
no annotation 4 SER A 129
ALA A 128
SER A 138
SER A 126
SO4  A1011 (-2.7A)
None
SO4  A1011 (-2.8A)
None
1.00A 2i91A-5lewA:
undetectable
2i91A-5lewA:
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.
5lhv URIDINE
PHOSPHORYLASE


(Vibrio cholerae)
PF01048
(PNP_UDP_1)
4 SER A 112
ALA A 199
SER A 198
THR A 155
None
0.85A 2i91A-5lhvA:
undetectable
2i91A-5lhvA:
16.95
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.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43


(Chaetomium
thermophilum)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind)
4 SER A 422
ALA A 424
SER A 425
THR A 458
None
0.90A 2i91A-5ltaA:
undetectable
2i91A-5ltaA:
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.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE


(Streptomyces
violaceusniger)
PF04820
(Trp_halogenase)
4 TYR A 390
SER A 352
ALA A 347
SER A 340
None
1.04A 2i91A-5lv9A:
undetectable
2i91A-5lv9A:
22.99
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae)
PF13691
(Lactamase_B_4)
4 SER A 328
SER A  12
THR A  11
ASN A 325
None
0.82A 2i91A-5mtzA:
undetectable
2i91A-5mtzA:
21.54
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE


(Ruminiclostridium
thermocellum)
PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36)
4 TYR A 453
ALA A 508
SER A 509
THR A 482
None
1.03A 2i91A-5nz7A:
undetectable
2i91A-5nz7A:
19.75
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2


(Homo sapiens)
no annotation 4 TYR C 419
SER C  16
ALA C  15
THR C  19
None
1.08A 2i91A-5o4gC:
undetectable
2i91A-5o4gC:
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.
5t2x UNCHARACTERIZED
PROTEIN LPG1670


(Legionella
pneumophila)
no annotation 4 TYR A 221
SER A 213
ALA A 216
THR A 170
None
1.03A 2i91A-5t2xA:
undetectable
2i91A-5t2xA:
18.32
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.
5u65 VHH-5

(Camelus
dromedarius)
PF07686
(V-set)
4 SER A  94
ALA A  93
SER A  95
THR A  96
None
0.89A 2i91A-5u65A:
undetectable
2i91A-5u65A:
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.
5v2m MEVALONATE
DIPHOSPHATE
DECARBOXYLASE


(Enterococcus
faecalis)
no annotation 4 SER A 144
ALA A 141
SER A 140
SER A 108
None
None
SO4  A 401 (-4.4A)
None
1.02A 2i91A-5v2mA:
undetectable
2i91A-5v2mA:
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.
5x4j UNCHARACTERIZED
PROTEIN


(Pyrococcus
furiosus)
no annotation 4 ALA A  83
SER A  82
SER A 137
THR A 140
ZN  A 501 ( 4.8A)
None
None
None
1.01A 2i91A-5x4jA:
4.8
2i91A-5x4jA:
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.
5zbh NEUROPEPTIDE Y
RECEPTOR TYPE 1,T4
LYSOZYME,NEUROPEPTID
E Y RECEPTOR TYPE 1


(Homo sapiens;
Escherichia
virus T4)
no annotation 4 SER A  85
SER A 127
SER A  83
ASN A 316
None
1.05A 2i91A-5zbhA:
undetectable
2i91A-5zbhA:
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.
6emp -

(-)
no annotation 4 SER A 343
ALA A 341
SER A 347
THR A 346
None
0.97A 2i91A-6empA:
undetectable
2i91A-6empA:
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.
6fb3 TENEURIN-2

(Gallus gallus)
no annotation 4 SER A1506
ALA A1507
SER A1519
SER A1575
None
0.85A 2i91A-6fb3A:
undetectable
2i91A-6fb3A:
undetectable