SIMILAR PATTERNS OF AMINO ACIDS FOR 1O76_B_CAMB1420_0

List of similar pattern of amino acids derived from ASSAM search

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

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


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5l UREASE (ALPHA
SUBUNIT)


(Klebsiella
aerogenes)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
4 THR C 490
LEU C 492
VAL C 501
ASP C 185
None
1.14A 1o76B-1a5lC:
0.0
1o76B-1a5lC:
22.47
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.
1g0n TRIHYDROXYNAPHTHALEN
E REDUCTASE


(Magnaporthe
grisea)
PF13561
(adh_short_C2)
4 LEU A 159
VAL A 111
THR A  35
VAL A  88
None
None
None
NDP  A 400 (-3.9A)
0.80A 1o76B-1g0nA:
0.0
1o76B-1g0nA:
22.49
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
4 THR A 770
VAL A 746
THR A 755
VAL A 784
None
1.07A 1o76B-1g8kA:
0.0
1o76B-1g8kA:
19.22
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.
1mb9 BETA-LACTAM
SYNTHETASE


(Streptomyces
clavuligerus)
PF00733
(Asn_synthase)
PF13537
(GATase_7)
4 THR A 396
LEU A 345
VAL A 257
VAL A 404
None
1.02A 1o76B-1mb9A:
undetectable
1o76B-1mb9A:
23.46
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE


(Xanthomonas
citri)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
4 PHE A 107
THR A  78
VAL A 195
ASP A 104
None
1.00A 1o76B-1mpxA:
0.0
1o76B-1mpxA:
21.37
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.
1px5 2'-5'-OLIGOADENYLATE
SYNTHETASE 1


(Sus scrofa)
PF01909
(NTP_transf_2)
PF10421
(OAS1_C)
4 LEU A 197
VAL A 237
VAL A 308
ASP A 300
None
1.06A 1o76B-1px5A:
undetectable
1o76B-1px5A:
20.37
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.
1r0u PROTEIN YWIB

(Bacillus
subtilis)
PF09148
(DUF1934)
4 PHE A  77
TYR A 118
THR A  54
VAL A  56
None
None
GOL  A 301 ( 4.1A)
None
0.74A 1o76B-1r0uA:
undetectable
1o76B-1r0uA:
16.31
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.
1s7h YKOF

(Bacillus
subtilis)
PF07615
(Ykof)
4 PHE A  59
LEU A 187
VAL A 185
VAL A 170
None
1.09A 1o76B-1s7hA:
undetectable
1o76B-1s7hA:
17.75
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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa)
PF02567
(PhzC-PhzF)
4 LEU A 166
VAL A 158
THR A 160
VAL A 266
None
0.71A 1o76B-1u0kA:
0.0
1o76B-1u0kA:
23.21
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.
1wk4 TTK003001606

(Thermus
thermophilus)
PF00583
(Acetyltransf_1)
4 PHE A 139
TYR A 140
LEU A  91
VAL A  96
MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
1.15A 1o76B-1wk4A:
undetectable
1o76B-1wk4A:
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides)
PF06330
(TRI5)
4 TYR A  93
LEU A 150
VAL A 138
VAL A  81
SAZ  A 709 (-4.9A)
None
None
None
0.85A 1o76B-1yyrA:
undetectable
1o76B-1yyrA:
23.08
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.
1zcw AROMATIC
PRENYLTRANSFERASE


(Streptomyces
sp. CL190)
PF11468
(PTase_Orf2)
4 THR A  98
LEU A  94
VAL A 172
VAL A 160
None
1.09A 1o76B-1zcwA:
undetectable
1o76B-1zcwA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi)
PF02156
(Glyco_hydro_26)
4 THR A 200
LEU A 204
THR A  71
VAL A 114
None
0.94A 1o76B-2bvtA:
undetectable
1o76B-2bvtA:
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.
2ct8 METHIONYL-TRNA
SYNTHETASE


(Aquifex
aeolicus)
PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g)
4 PHE A   7
TYR A  38
VAL A 396
ASP A 252
None
1.12A 1o76B-2ct8A:
undetectable
1o76B-2ct8A:
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.
2hng HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae)
PF06619
(DUF1149)
4 TYR A  17
THR A 111
THR A  35
VAL A  37
None
0.70A 1o76B-2hngA:
undetectable
1o76B-2hngA:
16.55
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 PHE A 588
THR A 103
LEU A 584
VAL A  90
None
1.15A 1o76B-2inyA:
undetectable
1o76B-2inyA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jah CLAVULANIC ACID
DEHYDROGENASE


(Streptomyces
clavuligerus)
PF00106
(adh_short)
4 THR A  23
LEU A  27
THR A 136
VAL A 181
None
1.15A 1o76B-2jahA:
undetectable
1o76B-2jahA:
22.22
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.
2k8d PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRB


(Methanothermobacter
thermautotrophicus)
PF01641
(SelR)
4 PHE A  90
LEU A 123
VAL A 114
VAL A  94
None
0.95A 1o76B-2k8dA:
undetectable
1o76B-2k8dA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kxy UNCHARACTERIZED
PROTEIN


(Streptococcus
thermophilus)
PF07949
(YbbR)
4 LEU A  69
VAL A  85
THR A  65
VAL A  61
None
0.78A 1o76B-2kxyA:
undetectable
1o76B-2kxyA:
14.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE


(Pseudomonas
putida)
PF00067
(p450)
5 PHE A  87
TYR A  96
LEU A 244
THR A 252
VAL A 396
CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-4.5A)
HEM  A 501 (-3.4A)
None
1.33A 1o76B-2m56A:
68.5
1o76B-2m56A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE


(Pseudomonas
putida)
PF00067
(p450)
7 PHE A  87
TYR A  96
THR A 101
LEU A 244
VAL A 247
THR A 252
ASP A 297
CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
HEM  A 501 (-4.5A)
None
HEM  A 501 (-3.4A)
HEM  A 501 (-2.8A)
0.57A 1o76B-2m56A:
68.5
1o76B-2m56A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE


(Pseudomonas
putida)
PF00067
(p450)
7 PHE A  87
TYR A  96
THR A 101
LEU A 244
VAL A 247
VAL A 295
ASP A 297
CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
HEM  A 501 (-4.5A)
None
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
0.37A 1o76B-2m56A:
68.5
1o76B-2m56A:
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.
2n67 HEMOLYSIN II

(Bacillus cereus)
no annotation 4 PHE B  66
TYR B  64
LEU B  36
VAL B  16
None
1.03A 1o76B-2n67B:
undetectable
1o76B-2n67B:
13.39
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.
2o2k METHIONINE SYNTHASE

(Homo sapiens)
PF02965
(Met_synt_B12)
4 TYR A1219
LEU A1141
VAL A1102
THR A1199
None
1.16A 1o76B-2o2kA:
undetectable
1o76B-2o2kA:
22.40
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.
2oz4 FAB FRAGMENT, HEAVY
CHAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 TYR H  27
THR H  98
LEU H   4
VAL H  72
None
1.12A 1o76B-2oz4H:
undetectable
1o76B-2oz4H:
16.99
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.
2pe4 HYALURONIDASE-1

(Homo sapiens)
PF01630
(Glyco_hydro_56)
4 TYR A 339
LEU A 303
THR A  34
VAL A  55
None
1.15A 1o76B-2pe4A:
undetectable
1o76B-2pe4A:
22.86
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.
2r8r SENSOR PROTEIN

(Pseudomonas
syringae group
genomosp. 3)
PF02702
(KdpD)
4 THR A 204
LEU A   8
VAL A   6
ASP A 147
None
1.09A 1o76B-2r8rA:
undetectable
1o76B-2r8rA:
20.29
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.
2r8r SENSOR PROTEIN

(Pseudomonas
syringae group
genomosp. 3)
PF02702
(KdpD)
4 THR A 204
LEU A   8
VAL A 121
ASP A 147
None
0.90A 1o76B-2r8rA:
undetectable
1o76B-2r8rA:
20.29
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.
2yvs GLYCOLATE OXIDASE
SUBUNIT GLCE


(Thermus
thermophilus)
no annotation 4 LEU A 215
VAL A 218
THR A  69
VAL A  75
None
1.14A 1o76B-2yvsA:
undetectable
1o76B-2yvsA:
19.33
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737


(Streptococcus
mutans)
PF12146
(Hydrolase_4)
4 THR A 167
LEU A 172
VAL A 161
THR A 239
BME  A 403 ( 4.9A)
None
None
None
1.14A 1o76B-3fnbA:
undetectable
1o76B-3fnbA:
23.73
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.
3glq ADENOSYLHOMOCYSTEINA
SE


(Burkholderia
pseudomallei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 LEU A 379
VAL A 339
THR A 317
ASP A 350
None
0.88A 1o76B-3glqA:
undetectable
1o76B-3glqA:
23.15
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.
3gvp ADENOSYLHOMOCYSTEINA
SE 3


(Homo sapiens)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 LEU A 517
VAL A 475
THR A 453
ASP A 486
None
0.81A 1o76B-3gvpA:
undetectable
1o76B-3gvpA:
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE


(Haemophilus
influenzae)
PF02395
(Peptidase_S6)
PF03212
(Pertactin)
4 THR A 689
LEU A 687
VAL A 801
VAL A 737
None
1.08A 1o76B-3h09A:
undetectable
1o76B-3h09A:
16.83
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.
3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00171
(Aldedh)
4 THR A 182
LEU A  81
VAL A  84
THR A  89
None
1.02A 1o76B-3ju8A:
undetectable
1o76B-3ju8A:
24.76
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.
3luq SENSOR PROTEIN

(Geobacter
sulfurreducens)
PF08448
(PAS_4)
4 PHE A 105
TYR A 111
LEU A 124
THR A 196
None
1.09A 1o76B-3luqA:
undetectable
1o76B-3luqA:
14.73
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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4


(Saccharomyces
cerevisiae)
PF04564
(U-box)
PF10408
(Ufd2P_core)
4 TYR A 635
LEU A 539
VAL A 535
THR A 562
None
1.01A 1o76B-3m62A:
undetectable
1o76B-3m62A:
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE


(Actinomadura
kijaniata)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 THR A 151
LEU A 163
VAL A 199
VAL A 170
None
0.98A 1o76B-3m9vA:
undetectable
1o76B-3m9vA:
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.
3o38 SHORT CHAIN
DEHYDROGENASE


(Mycolicibacterium
smegmatis)
PF13561
(adh_short_C2)
4 THR A 136
LEU A 140
VAL A 193
THR A 251
None
1.02A 1o76B-3o38A:
undetectable
1o76B-3o38A:
21.39
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.
3p2f AHL SYNTHASE

(Burkholderia
glumae)
PF00765
(Autoind_synth)
4 PHE A 105
LEU A 189
THR A   3
VAL A  55
None
1.12A 1o76B-3p2fA:
undetectable
1o76B-3p2fA:
18.33
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.
3pvl MYOSIN VIIA ISOFORM
1


(Mus musculus)
PF00784
(MyTH4)
4 PHE A1532
LEU A1511
VAL A1498
VAL A1489
None
None
None
GOL  A   1 ( 4.7A)
0.97A 1o76B-3pvlA:
undetectable
1o76B-3pvlA:
20.24
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 THR A 561
LEU A 573
VAL A 600
VAL A 555
None
0.93A 1o76B-3rimA:
undetectable
1o76B-3rimA:
22.32
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.
3skv SSFX3

(Streptomyces
sp. SF2575)
PF13472
(Lipase_GDSL_2)
4 THR A  71
LEU A 152
VAL A 150
VAL A 103
None
0.98A 1o76B-3skvA:
undetectable
1o76B-3skvA:
22.30
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.
3t6g SH2
DOMAIN-CONTAINING
PROTEIN 3C


(Homo sapiens)
PF00617
(RasGEF)
4 PHE A 586
LEU A 590
VAL A 444
ASP A 441
None
0.95A 1o76B-3t6gA:
undetectable
1o76B-3t6gA:
22.45
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.
3t6s CERJ

(Streptomyces
tendae)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 TYR A 289
THR A 293
LEU A  15
THR A 144
None
1.05A 1o76B-3t6sA:
undetectable
1o76B-3t6sA:
22.43
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.
3tos CALS11

(Micromonospora
echinospora)
PF05711
(TylF)
4 THR A 181
LEU A 175
VAL A 171
VAL A 161
None
1.03A 1o76B-3tosA:
undetectable
1o76B-3tosA:
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.
3umf ADENYLATE KINASE

(Schistosoma
mansoni)
PF00406
(ADK)
4 PHE A  13
TYR A  96
LEU A  74
VAL A 110
None
0.82A 1o76B-3umfA:
undetectable
1o76B-3umfA:
18.27
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B


(Escherichia
coli)
PF00873
(ACR_tran)
4 PHE A 927
THR A 917
LEU A 555
THR A1013
None
1.08A 1o76B-3w9hA:
undetectable
1o76B-3w9hA:
18.35
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.
3wbg FATTY ACID-BINDING
PROTEIN, HEART


(Homo sapiens)
PF00061
(Lipocalin)
4 TYR A  19
LEU A 104
THR A  53
ASP A  76
2AN  A 201 (-4.8A)
None
2AN  A 201 ( 4.0A)
2AN  A 201 (-3.9A)
1.06A 1o76B-3wbgA:
undetectable
1o76B-3wbgA:
16.67
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.
3wbg FATTY ACID-BINDING
PROTEIN, HEART


(Homo sapiens)
PF00061
(Lipocalin)
4 TYR A  19
LEU A 104
THR A  60
ASP A  76
2AN  A 201 (-4.8A)
None
None
2AN  A 201 (-3.9A)
0.89A 1o76B-3wbgA:
undetectable
1o76B-3wbgA:
16.67
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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pyrococcus
furiosus)
PF01554
(MatE)
4 THR A 202
LEU A 143
VAL A  45
ASP A  41
OLC  A 505 ( 4.5A)
None
None
None
1.07A 1o76B-3wbnA:
undetectable
1o76B-3wbnA:
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.
4akr F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA
F-ACTIN-CAPPING
PROTEIN SUBUNIT BETA


(Dictyostelium
discoideum;
Dictyostelium
discoideum)
PF01267
(F-actin_cap_A)
PF01115
(F_actin_cap_B)
4 TYR A 243
LEU A 202
VAL B 189
THR A 206
None
0.99A 1o76B-4akrA:
undetectable
1o76B-4akrA:
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.
4c0r PUTATIVE AMINO ACID
BINDING PROTEIN


(Streptococcus
mutans)
PF00497
(SBP_bac_3)
4 THR A  86
LEU A 211
VAL A  35
ASP A  28
None
1.09A 1o76B-4c0rA:
undetectable
1o76B-4c0rA:
18.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
6 TYR A  98
THR A 103
LEU A 252
THR A 260
VAL A 303
ASP A 305
None
GOL  A1419 (-3.8A)
HEM  A1418 (-4.0A)
HEM  A1418 (-3.6A)
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
0.62A 1o76B-4c9mA:
59.0
1o76B-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
4 PHE A  87
LEU A 250
THR A 258
VAL A 301
None
HEM  A 501 (-4.3A)
HEM  A 501 (-3.7A)
PEG  A 502 ( 4.5A)
0.65A 1o76B-4dxyA:
52.2
1o76B-4dxyA:
46.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
4 THR A 101
LEU A 250
THR A 258
VAL A 301
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
HEM  A 501 (-3.7A)
PEG  A 502 ( 4.5A)
0.87A 1o76B-4dxyA:
52.2
1o76B-4dxyA:
46.24
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.
4ehc PE-PGRS FAMILY
PROTEIN


(Mycobacterium
tuberculosis)
no annotation 4 PHE A 153
LEU A  35
VAL A  21
VAL A  79
None
1.06A 1o76B-4ehcA:
undetectable
1o76B-4ehcA:
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.
4eog PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pyrococcus
furiosus)
PF09455
(Cas_DxTHG)
4 THR A   8
LEU A   6
VAL A  38
VAL A  94
None
1.15A 1o76B-4eogA:
undetectable
1o76B-4eogA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1


(Saccharomyces
cerevisiae)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 PHE A 429
LEU A 181
VAL A  83
VAL A 164
None
0.99A 1o76B-4g1pA:
undetectable
1o76B-4g1pA:
22.00
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.
4lqz UNCHARACTERIZED
PROTEIN


(Staphylococcus
aureus)
PF16253
(DUF4909)
4 PHE A  79
TYR A 100
VAL A  72
ASP A  70
None
1.14A 1o76B-4lqzA:
undetectable
1o76B-4lqzA:
16.67
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.
4m4r EPHRIN TYPE-A
RECEPTOR 4


(Homo sapiens)
PF00041
(fn3)
PF01404
(Ephrin_lbd)
4 LEU A 503
VAL A 457
THR A 498
VAL A 476
None
0.83A 1o76B-4m4rA:
undetectable
1o76B-4m4rA:
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.
4mb5 CHITINASE 60

(Moritella
marina)
PF00704
(Glyco_hydro_18)
PF16403
(DUF5011)
4 LEU A 478
VAL A 498
THR A 470
ASP A 443
None
1.06A 1o76B-4mb5A:
undetectable
1o76B-4mb5A:
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.
4n9q FMN-DEPENDENT
NADH-AZOREDUCTASE 1


(Pseudomonas
aeruginosa)
PF02525
(Flavodoxin_2)
4 LEU A  91
VAL A   7
THR A  95
VAL A 102
None
1.15A 1o76B-4n9qA:
undetectable
1o76B-4n9qA:
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.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis)
PF00154
(RecA)
4 THR A  43
LEU A  57
VAL A 222
VAL A 226
None
1.06A 1o76B-4oqfA:
undetectable
1o76B-4oqfA:
21.33
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.
4p3h KSHV PROTEASE

(Human
gammaherpesvirus
8)
PF00716
(Peptidase_S21)
4 LEU A  34
VAL A  36
THR A  55
VAL A 135
None
0.96A 1o76B-4p3hA:
undetectable
1o76B-4p3hA:
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.
4q4a UNCHARACTERIZED ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0288


(Thermotoga
maritima)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
4 PHE B 473
THR B 503
LEU B 449
VAL B 445
None
1.14A 1o76B-4q4aB:
undetectable
1o76B-4q4aB:
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.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE


(Sphaerobacter
thermophilus)
PF01546
(Peptidase_M20)
4 THR A 140
THR A 119
VAL A  56
ASP A  50
GOL  A 402 ( 4.6A)
None
None
GOL  A 402 (-4.3A)
1.10A 1o76B-4q7aA:
undetectable
1o76B-4q7aA:
22.76
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.
4tsh SURFACE PROTEIN
ADHESIN


(Streptococcus
mutans)
PF16364
(Antigen_C)
4 PHE B1070
THR B1033
LEU B1125
THR B1043
None
1.08A 1o76B-4tshB:
undetectable
1o76B-4tshB:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txd CSC2

(Thermofilum
pendens)
no annotation 4 THR A  85
LEU A 249
VAL A 264
VAL A  39
None
1.01A 1o76B-4txdA:
undetectable
1o76B-4txdA:
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.
4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2


(Vibrio cholerae)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 THR A 124
LEU A 167
VAL A 165
VAL A 308
None
1.06A 1o76B-4x0oA:
undetectable
1o76B-4x0oA:
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.
4xef PROTEIN-TYROSINE
KINASE 2-BETA


(Homo sapiens)
PF03623
(Focal_AT)
4 LEU A 931
VAL A 994
THR A 942
ASP A 925
None
1.15A 1o76B-4xefA:
undetectable
1o76B-4xefA:
16.43
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.
4y96 TRIOSEPHOSPHATE
ISOMERASE


(Gemmata
obscuriglobus)
PF00121
(TIM)
4 PHE A 163
TYR A 202
VAL A 151
VAL A 117
None
0.92A 1o76B-4y96A:
undetectable
1o76B-4y96A:
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.
4yah D-METHIONINE-BINDING
LIPOPROTEIN METQ


(Escherichia
coli)
PF03180
(Lipoprotein_9)
4 PHE X 246
TYR X 250
THR X 109
VAL X  37
None
1.15A 1o76B-4yahX:
undetectable
1o76B-4yahX:
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.
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS


(Bacillus
subtilis)
PF00067
(p450)
4 LEU A 237
VAL A 240
THR A 245
VAL A 288
LEU  A 237 ( 0.6A)
VAL  A 240 ( 0.5A)
THR  A 245 ( 0.8A)
VAL  A 288 ( 0.6A)
0.60A 1o76B-4yzrA:
42.4
1o76B-4yzrA:
27.51
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.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1


(Homo sapiens)
PF00027
(cNMP_binding)
4 PHE A 305
VAL A 326
THR A 255
VAL A 330
None
1.12A 1o76B-4z07A:
undetectable
1o76B-4z07A:
21.46
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.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3


(Yersinia pestis)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 THR A 253
LEU A 219
THR A 116
VAL A 279
None
1.13A 1o76B-4z19A:
undetectable
1o76B-4z19A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z23 CELL WALL SURFACE
ANCHOR PROTEIN


(Streptococcus
agalactiae)
PF16364
(Antigen_C)
4 TYR A 133
LEU A  79
VAL A  75
VAL A 125
None
1.09A 1o76B-4z23A:
undetectable
1o76B-4z23A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z8t AVRRXO1-ORF1

(Xanthomonas
oryzae)
no annotation 4 THR A 184
LEU A 142
VAL A 243
VAL A 194
None
0.92A 1o76B-4z8tA:
undetectable
1o76B-4z8tA:
23.28
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME


(Drosophila
melanogaster)
PF01401
(Peptidase_M2)
4 PHE A 363
LEU A 433
VAL A 283
ASP A 360
None
1.05A 1o76B-5a2rA:
undetectable
1o76B-5a2rA:
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.
5ah1 TRIACYLGLYCEROL
LIPASE


(Clostridium
botulinum)
no annotation 4 PHE A 250
LEU A 271
VAL A 125
THR A 305
None
1.13A 1o76B-5ah1A:
undetectable
1o76B-5ah1A:
22.24
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.
5cay ENVELOPE
GLYCOPROTEIN GP120
CORE FROM ST STRAIN
OF HIV-2


(Human
immunodeficiency
virus 2)
PF00516
(GP120)
4 PHE G 482
LEU G 301
VAL G 357
VAL G 412
None
1.00A 1o76B-5cayG:
undetectable
1o76B-5cayG:
20.56
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.
5f5v PRP38

(Chaetomium
thermophilum)
PF03371
(PRP38)
4 TYR A 105
LEU A 119
VAL A  65
VAL A  56
None
0.95A 1o76B-5f5vA:
undetectable
1o76B-5f5vA:
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.
5ila PROTEASE DO-LIKE 9

(Arabidopsis
thaliana)
PF13365
(Trypsin_2)
4 THR A 166
LEU A 204
VAL A 192
THR A 175
None
1.08A 1o76B-5ilaA:
undetectable
1o76B-5ilaA:
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.
5j04 ENOLASE

(Synechococcus
elongatus)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
4 THR A 384
LEU A 380
THR A 319
VAL A 336
None
1.04A 1o76B-5j04A:
undetectable
1o76B-5j04A:
24.34
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.
5k0u CAPSID PROTEIN VP1
CAPSID PROTEIN VP2


(Rhinovirus C;
Rhinovirus C)
PF00073
(Rhv)
PF00073
(Rhv)
4 TYR A 185
THR C 147
THR A 248
ASP A 183
None
0.95A 1o76B-5k0uA:
undetectable
1o76B-5k0uA:
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.
5k53 ALDEHYDE
DEFORMYLATING
OXYGENASE


(Oscillatoria
sp.)
PF11266
(Ald_deCOase)
4 TYR A  17
LEU A  74
VAL A  76
VAL A  28
None
None
None
STE  A 502 ( 4.8A)
1.11A 1o76B-5k53A:
undetectable
1o76B-5k53A:
21.55
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.
5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1


(Saccharomyces
cerevisiae)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
4 PHE C 251
LEU C 280
VAL C 289
ASP C 273
PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
0.96A 1o76B-5lmxC:
undetectable
1o76B-5lmxC:
22.79
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.
5mz9 -

(-)
no annotation 4 TYR A 322
THR A 343
VAL A 547
VAL A 543
None
1.01A 1o76B-5mz9A:
undetectable
1o76B-5mz9A:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE


(Rhizobium sp.
NT-26)
no annotation 4 THR A 788
VAL A 764
THR A 773
VAL A 802
None
1.10A 1o76B-5nqdA:
undetectable
1o76B-5nqdA:
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B
HETERODISULFIDE
REDUCTASE, SUBUNIT C


(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus)
PF02754
(CCG)
PF13183
(Fer4_8)
4 THR C  50
LEU B 207
VAL B 200
ASP C  73
None
1.12A 1o76B-5odrC:
undetectable
1o76B-5odrC:
18.77
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.
5opt RIBOSOMAL PROTEIN
S7, PUTATIVE


(Trypanosoma
cruzi)
no annotation 4 PHE Q  67
LEU Q 134
VAL Q 177
THR Q 182
A  E 764 ( 4.5A)
None
None
None
1.11A 1o76B-5optQ:
undetectable
1o76B-5optQ:
21.34
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.
5sy7 NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 3


(Mus musculus)
PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3)
4 PHE B 176
LEU B 187
VAL B 183
VAL B 318
None
0.98A 1o76B-5sy7B:
undetectable
1o76B-5sy7B:
20.43
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.
5x2g CRISPR-ASSOCIATED
ENDONUCLEASE CAS9


(Campylobacter
jejuni)
no annotation 4 PHE A   7
TYR A 459
THR A 651
LEU A 435
None
1.08A 1o76B-5x2gA:
undetectable
1o76B-5x2gA:
19.50
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3


(Homo sapiens)
PF00557
(Peptidase_M24)
PF05195
(AMP_N)
4 LEU A 426
VAL A 340
THR A 262
ASP A 331
None
None
None
MN  A 602 ( 2.0A)
1.01A 1o76B-5x49A:
undetectable
1o76B-5x49A:
22.68
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3


(Homo sapiens)
PF00557
(Peptidase_M24)
PF05195
(AMP_N)
4 THR A 449
LEU A 426
VAL A 340
THR A 262
MN  A 601 ( 3.8A)
None
None
None
1.10A 1o76B-5x49A:
undetectable
1o76B-5x49A:
22.68
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.
5xga OSMOLARITY SENSOR
PROTEIN ENVZ


(Escherichia
coli)
no annotation 4 TYR A  48
LEU A  55
VAL A 112
THR A 104
CPS  A 202 (-3.4A)
CPS  A 201 ( 4.6A)
None
CPS  A 201 (-2.7A)
1.01A 1o76B-5xgaA:
undetectable
1o76B-5xgaA:
15.17
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.
5xks THERMOSTABLE
MONOACYLGLYCEROL
LIPASE


(Geobacillus sp.
12AMOR1)
no annotation 4 PHE A 245
LEU A  39
VAL A  25
THR A 103
None
0.96A 1o76B-5xksA:
undetectable
1o76B-5xksA:
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.
5xuy AUTOPHAGY-RELATED
PROTEIN 13


(Homo sapiens)
no annotation 4 PHE A  20
VAL A 173
THR A 132
VAL A  27
None
1.04A 1o76B-5xuyA:
undetectable
1o76B-5xuyA:
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.
5yk2 PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER


(Mycobacterium
tuberculosis)
no annotation 4 PHE A 130
LEU A 119
VAL A 239
VAL A 154
None
1.03A 1o76B-5yk2A:
undetectable
1o76B-5yk2A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6coy CHLORIDE CHANNEL
PROTEIN 1


(Homo sapiens)
no annotation 4 THR A 539
VAL A 544
THR A 281
VAL A 275
None
1.09A 1o76B-6coyA:
undetectable
1o76B-6coyA:
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.
6f3m -

(-)
no annotation 4 LEU B 367
VAL B 318
THR B 296
ASP B 329
None
0.85A 1o76B-6f3mB:
undetectable
1o76B-6f3mB:
undetectable