SIMILAR PATTERNS OF AMINO ACIDS FOR 3BJW_B_SVRB512_1

List of similar pattern of amino acids derived from ASSAM search

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

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


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


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 VAL H  37
VAL H  48
THR H  95
ARG H  38
None
1.19A 3bjwA-1adqH:
0.0
3bjwA-1adqH:
20.18
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.
1fux HYPOTHETICAL 19.5
KDA PROTEIN IN
EMRE-RUS INTERGENIC
REGION


(Escherichia
coli)
PF01161
(PBP)
4 VAL A  67
VAL A  93
THR A 127
THR A  65
None
1.00A 3bjwA-1fuxA:
0.0
3bjwA-1fuxA:
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.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)


(Homo sapiens)
PF00012
(HSP70)
4 VAL A 238
THR A 295
THR A 265
ARG A 264
None
1.12A 3bjwA-1hjoA:
0.0
3bjwA-1hjoA:
13.24
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.
1id0 PHOQ HISTIDINE
KINASE


(Escherichia
coli)
PF02518
(HATPase_c)
4 VAL A 413
VAL A 412
THR A 348
ARG A 471
None
1.12A 3bjwA-1id0A:
0.0
3bjwA-1id0A:
19.38
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.
1m0u GST2 GENE PRODUCT

(Drosophila
melanogaster)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 VAL A 227
VAL A 228
THR A 196
ARG A 225
None
1.08A 3bjwA-1m0uA:
0.0
3bjwA-1m0uA:
16.39
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.
1n8p CYSTATHIONINE
GAMMA-LYASE


(Saccharomyces
cerevisiae)
PF01053
(Cys_Met_Meta_PP)
4 VAL A 198
VAL A 197
THR A  85
THR A 180
None
None
None
PLP  A 400 ( 4.1A)
1.05A 3bjwA-1n8pA:
0.0
3bjwA-1n8pA:
14.40
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.
1nqz COA PYROPHOSPHATASE
(MUTT/NUDIX FAMILY
PROTEIN)


(Deinococcus
radiodurans)
PF00293
(NUDIX)
4 VAL A  50
THR A 181
THR A 143
ARG A  49
None
1.19A 3bjwA-1nqzA:
undetectable
3bjwA-1nqzA:
18.88
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT


(Corynebacterium
sp. U-96)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4)
4 VAL A 338
VAL A 354
THR A 290
THR A 341
None
1.22A 3bjwA-1vrqA:
0.0
3bjwA-1vrqA:
7.08
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.
1wil KIAA1045 PROTEIN

(Homo sapiens)
PF16744
(Zf_RING)
4 VAL A  38
THR A  25
THR A  36
ARG A  37
None
1.19A 3bjwA-1wilA:
undetectable
3bjwA-1wilA:
20.35
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.
1xqs HEAT SHOCK 70 KDA
PROTEIN 1


(Homo sapiens)
PF00012
(HSP70)
4 VAL C 238
THR C 295
THR C 265
ARG C 264
None
1.19A 3bjwA-1xqsC:
0.0
3bjwA-1xqsC:
22.16
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.
1ydo HMG-COA LYASE

(Bacillus
subtilis)
PF00682
(HMGL-like)
4 VAL A  12
THR A  40
THR A  48
ARG A  15
None
1.05A 3bjwA-1ydoA:
undetectable
3bjwA-1ydoA:
15.05
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE


(Saccharomyces
cerevisiae)
PF00343
(Phosphorylase)
4 VAL A 221
THR A 276
THR A 201
ARG A 220
None
1.11A 3bjwA-1ygpA:
undetectable
3bjwA-1ygpA:
9.39
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.
2mpe BPSL1050

(Burkholderia
pseudomallei)
no annotation 5 VAL A  37
VAL A  38
THR A  15
THR A  35
ARG A  50
None
1.46A 3bjwA-2mpeA:
undetectable
3bjwA-2mpeA:
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE


(Streptococcus
mutans)
PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1)
4 VAL A 693
VAL A 694
THR A 417
THR A 689
None
1.17A 3bjwA-2nq5A:
undetectable
3bjwA-2nq5A:
9.14
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.
2pi5 DNA-DIRECTED RNA
POLYMERASE


(Escherichia
virus T7)
PF00940
(RNA_pol)
PF14700
(RPOL_N)
4 VAL A 137
VAL A 134
THR A 118
THR A 132
None
0.99A 3bjwA-2pi5A:
undetectable
3bjwA-2pi5A:
9.09
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.
2q6u NIKD PROTEIN

(Streptomyces
tendae)
PF01266
(DAO)
4 VAL A  97
VAL A  98
THR A 254
THR A  95
None
1.14A 3bjwA-2q6uA:
undetectable
3bjwA-2q6uA:
14.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhe PHOSPHOLIPASE A2

(Echis carinatus)
PF00068
(Phospholip_A2_1)
4 VAL A   2
VAL A   3
THR A  23
THR A  70
None
0.71A 3bjwA-2qheA:
22.8
3bjwA-2qheA:
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.
2qvx 4-CHLOROBENZOATE COA
LIGASE


(Alcaligenes sp.
AL3007)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 VAL X 209
VAL X 208
THR X 251
ARG X 181
3BZ  X 505 (-4.9A)
None
None
None
1.10A 3bjwA-2qvxX:
undetectable
3bjwA-2qvxX:
13.15
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.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN


(Rattus
norvegicus)
PF00012
(HSP70)
4 VAL A 238
THR A 295
THR A 265
ARG A 264
None
1.04A 3bjwA-2v7zA:
undetectable
3bjwA-2v7zA:
11.47
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.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D


(Streptococcus
pneumoniae)
PF03644
(Glyco_hydro_85)
4 VAL A 782
VAL A 783
THR A 760
THR A 796
None
1.13A 3bjwA-2w92A:
undetectable
3bjwA-2w92A:
12.37
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.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN


(Homo sapiens)
PF00089
(Trypsin)
4 VAL S  65
VAL S  32
THR S  79
THR S  64
None
1.08A 3bjwA-2wpmS:
undetectable
3bjwA-2wpmS:
16.60
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.
2yz2 PUTATIVE ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0222


(Thermotoga
maritima)
PF00005
(ABC_tran)
4 VAL A 208
VAL A 209
THR A 221
ARG A 207
None
1.17A 3bjwA-2yz2A:
undetectable
3bjwA-2yz2A:
19.25
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.
2zbc 83AA LONG
HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR ASNC


(Sulfurisphaera
tokodaii)
PF01037
(AsnC_trans_reg)
4 VAL A  42
VAL A  31
THR A  69
THR A  29
None
None
ILE  A  84 (-3.6A)
None
1.16A 3bjwA-2zbcA:
undetectable
3bjwA-2zbcA:
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.
3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE


(Yersinia
pseudotuberculosis)
PF01041
(DegT_DnrJ_EryC1)
4 VAL A 394
VAL A 395
THR A 399
ARG A 393
None
1.08A 3bjwA-3bb8A:
undetectable
3bjwA-3bb8A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dto BH2835 PROTEIN

(Bacillus
halodurans)
PF01966
(HD)
4 VAL A 118
VAL A 117
THR A  99
THR A  34
None
0.85A 3bjwA-3dtoA:
undetectable
3bjwA-3dtoA:
17.59
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA


(Pseudomonas
putida)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
4 VAL A  81
VAL A  82
THR A 156
THR A  71
None
1.16A 3bjwA-3eqqA:
undetectable
3bjwA-3eqqA:
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.
3ezj GENERAL SECRETION
PATHWAY PROTEIN GSPD
NANOBODY NBGSPD_7


(Escherichia
coli;
Lama glama)
PF03958
(Secretin_N)
PF07686
(V-set)
4 VAL A 135
VAL A 134
THR A 156
ARG B 107
None
1.18A 3bjwA-3ezjA:
1.8
3bjwA-3ezjA:
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.
3f6z PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
PF09864
(MliC)
4 VAL B  71
VAL B  81
THR B  44
THR B  79
None
1.08A 3bjwA-3f6zB:
undetectable
3bjwA-3f6zB:
18.11
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.
3gec PERIOD CIRCADIAN
PROTEIN


(Drosophila
melanogaster)
PF00989
(PAS)
PF14598
(PAS_11)
4 VAL A 489
VAL A 490
THR A 439
THR A 396
None
1.06A 3bjwA-3gecA:
undetectable
3bjwA-3gecA:
17.59
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.
3glg DNA POLYMERASE III
SUBUNIT DELTA'


(Escherichia
coli)
PF09115
(DNApol3-delta_C)
PF13177
(DNA_pol3_delta2)
4 VAL E 112
VAL E 111
THR E 131
THR E  78
None
1.17A 3bjwA-3glgE:
1.1
3bjwA-3glgE:
13.47
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT


(Eubacterium
barkeri)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
4 VAL A 204
VAL A 192
THR A 234
THR A 202
None
1.04A 3bjwA-3hrdA:
undetectable
3bjwA-3hrdA:
14.22
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
4 VAL A 391
VAL A 358
THR A 405
ARG A 392
None
1.18A 3bjwA-3hs0A:
undetectable
3bjwA-3hs0A:
11.58
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.
3ksm ABC-TYPE SUGAR
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT


(Hahella
chejuensis)
PF13407
(Peripla_BP_4)
4 VAL A 277
VAL A 278
THR A 231
ARG A 310
None
1.05A 3bjwA-3ksmA:
0.3
3bjwA-3ksmA:
17.14
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
4 VAL A 594
VAL A 595
THR A 537
THR A 509
None
1.21A 3bjwA-3ldrA:
undetectable
3bjwA-3ldrA:
10.69
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.
3m66 MTERF
DOMAIN-CONTAINING
PROTEIN 1,
MITOCHONDRIAL


(Homo sapiens)
PF02536
(mTERF)
4 VAL A 280
VAL A 281
THR A 288
THR A 276
None
0.85A 3bjwA-3m66A:
undetectable
3bjwA-3m66A:
16.36
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.
3mcz O-METHYLTRANSFERASE

(Burkholderia
thailandensis)
PF00891
(Methyltransf_2)
PF16864
(Dimerisation2)
4 VAL A 168
VAL A 167
THR A 189
ARG A 333
None
0.90A 3bjwA-3mczA:
undetectable
3bjwA-3mczA:
14.20
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.
3nvq SEMAPHORIN-7A

(Homo sapiens)
PF01403
(Sema)
PF01437
(PSI)
PF13895
(Ig_2)
4 VAL A 321
VAL A 336
THR A 319
ARG A 320
None
1.21A 3bjwA-3nvqA:
undetectable
3bjwA-3nvqA:
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.
3o80 HEXOKINASE

(Kluyveromyces
lactis)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
4 VAL A  70
VAL A  71
THR A 470
ARG A 473
None
1.13A 3bjwA-3o80A:
undetectable
3bjwA-3o80A:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0c NISCHARIN

(Homo sapiens)
PF00787
(PX)
4 VAL A  21
VAL A  22
THR A  31
ARG A  20
None
1.12A 3bjwA-3p0cA:
undetectable
3bjwA-3p0cA:
24.81
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.
3pe8 ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis)
PF00378
(ECH_1)
4 VAL A  15
VAL A  50
THR A  17
ARG A  16
None
1.17A 3bjwA-3pe8A:
undetectable
3bjwA-3pe8A:
18.03
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.
3qyr ECHA16_2

(Mycobacterium
avium)
PF00378
(ECH_1)
4 VAL A  14
VAL A  49
THR A  16
ARG A  15
None
1.16A 3bjwA-3qyrA:
undetectable
3bjwA-3qyrA:
17.43
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.
3qz1 STEROID
21-HYDROXYLASE


(Bos taurus)
PF00067
(p450)
4 VAL A 440
VAL A 439
THR A 295
ARG A 443
None
None
HEM  A 500 (-3.3A)
None
0.71A 3bjwA-3qz1A:
undetectable
3bjwA-3qz1A:
11.90
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium)
PF00106
(adh_short)
4 VAL A  17
VAL A  18
THR A 233
THR A  40
None
1.20A 3bjwA-3rd5A:
undetectable
3bjwA-3rd5A:
15.57
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.
3riq TAILSPIKE PROTEIN

(Salmonella
virus 9NA)
PF09251
(PhageP22-tail)
4 VAL A 378
VAL A 350
THR A 401
THR A 380
None
1.04A 3bjwA-3riqA:
undetectable
3bjwA-3riqA:
11.82
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.
3rq1 AMINOTRANSFERASE
CLASS I AND II


(Veillonella
parvula)
PF00155
(Aminotran_1_2)
4 VAL A 126
VAL A 179
THR A 143
THR A 128
None
1.10A 3bjwA-3rq1A:
undetectable
3bjwA-3rq1A:
15.40
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.
3rty PERIOD CIRCADIAN
PROTEIN


(Drosophila
melanogaster)
PF00989
(PAS)
PF14598
(PAS_11)
4 VAL A 489
VAL A 490
THR A 439
THR A 396
None
0.95A 3bjwA-3rtyA:
undetectable
3bjwA-3rtyA:
16.18
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B


(Bacillus
subtilis)
PF12705
(PDDEXK_1)
4 VAL B 482
THR B 512
THR B 477
ARG B 478
None
1.07A 3bjwA-3u44B:
undetectable
3bjwA-3u44B:
6.16
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.
3u9g ZINC FINGER
CCCH-TYPE ANTIVIRAL
PROTEIN 1


(Rattus
norvegicus)
no annotation 4 VAL A  64
VAL A  65
THR A  22
ARG A  20
None
1.10A 3bjwA-3u9gA:
undetectable
3bjwA-3u9gA:
19.38
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.
3ug7 ARSENICAL
PUMP-DRIVING ATPASE


(Methanocaldococcus
jannaschii)
PF02374
(ArsA_ATPase)
4 VAL A  91
VAL A  58
THR A  40
THR A  81
None
None
MG  A 403 ( 3.2A)
None
1.17A 3bjwA-3ug7A:
undetectable
3bjwA-3ug7A:
15.14
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.
3vnf MEMBRANE-ASSOCIATED
PROTEIN VP24


(Sudan
ebolavirus)
PF06389
(Filo_VP24)
4 VAL A 170
VAL A 169
THR A 191
ARG A 192
None
1.17A 3bjwA-3vnfA:
undetectable
3bjwA-3vnfA:
15.87
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1


(Streptomyces
sp.)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 VAL A 344
VAL A 345
THR A 342
ARG A 343
None
1.22A 3bjwA-3vnsA:
undetectable
3bjwA-3vnsA:
12.71
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.
4ac3 BIFUNCTIONAL PROTEIN
GLMU


(Streptococcus
pneumoniae)
PF00132
(Hexapep)
PF00483
(NTP_transferase)
PF14602
(Hexapep_2)
4 VAL A 149
VAL A 142
THR A 216
ARG A 151
None
1.17A 3bjwA-4ac3A:
undetectable
3bjwA-4ac3A:
15.09
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.
4b9w TUDOR
DOMAIN-CONTAINING
PROTEIN 1


(Mus musculus)
PF00567
(TUDOR)
4 VAL A 855
VAL A 856
THR A 709
ARG A 854
None
1.12A 3bjwA-4b9wA:
undetectable
3bjwA-4b9wA:
18.50
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.
4b9x TUDOR
DOMAIN-CONTAINING
PROTEIN 1


(Mus musculus)
PF00567
(TUDOR)
4 VAL A 855
VAL A 856
THR A 709
ARG A 854
None
1.07A 3bjwA-4b9xA:
undetectable
3bjwA-4b9xA:
17.05
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE


(Aspergillus
fumigatus)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
4 VAL A 335
VAL A 357
THR A 388
THR A 337
None
1.06A 3bjwA-4bjuA:
undetectable
3bjwA-4bjuA:
11.44
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.
4cgy DNA TOPOISOMERASE
3-ALPHA


(Homo sapiens)
PF01131
(Topoisom_bac)
PF01751
(Toprim)
4 VAL A 252
VAL A 253
THR A 554
THR A 248
None
1.04A 3bjwA-4cgyA:
undetectable
3bjwA-4cgyA:
9.43
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.
4ckn SAS-6

(Leishmania
major)
PF16531
(SAS-6_N)
4 VAL A 159
VAL A 175
THR A 137
THR A 161
None
1.15A 3bjwA-4cknA:
undetectable
3bjwA-4cknA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cp6 CHOLINE BINDING
PROTEIN PCPA


(Streptococcus
pneumoniae)
PF13306
(LRR_5)
4 VAL A  53
VAL A  40
THR A  99
THR A  38
None
1.04A 3bjwA-4cp6A:
undetectable
3bjwA-4cp6A:
12.73
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE


(Chromobacterium
violaceum)
PF01979
(Amidohydro_1)
4 VAL A 205
VAL A 206
THR A 188
THR A 201
None
0.88A 3bjwA-4f0sA:
undetectable
3bjwA-4f0sA:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g9y PCAV TRANSCRIPTIONAL
REGULATOR


(Streptomyces
coelicolor)
PF13463
(HTH_27)
4 VAL A  69
VAL A  70
THR A  33
THR A  65
None
0.96A 3bjwA-4g9yA:
undetectable
3bjwA-4g9yA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h16 SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE


(Sinorhizobium
meliloti)
PF13561
(adh_short_C2)
4 VAL A  66
THR A  58
THR A  70
ARG A  73
None
1.14A 3bjwA-4h16A:
undetectable
3bjwA-4h16A:
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.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN


(Homo sapiens)
PF00012
(HSP70)
4 VAL A 238
THR A 295
THR A 265
ARG A 264
None
0.91A 3bjwA-4hwiA:
undetectable
3bjwA-4hwiA:
14.62
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.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED


(Xanthomonas
oryzae)
PF01053
(Cys_Met_Meta_PP)
4 VAL B 205
VAL B 204
THR B  94
THR B 187
None
None
None
LLP  B 210 ( 3.8A)
1.15A 3bjwA-4iyoB:
undetectable
3bjwA-4iyoB:
14.06
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.
4jjn HISTONE H2A.2
HISTONE H2B.2


(Saccharomyces
cerevisiae)
PF00125
(Histone)
PF16211
(Histone_H2A_C)
4 VAL D 114
THR C  53
THR D  99
ARG D 102
None
1.20A 3bjwA-4jjnD:
undetectable
3bjwA-4jjnD:
21.68
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.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE


(Thermococcus
kodakarensis)
PF01941
(AdoMet_Synthase)
4 VAL A  18
THR A 175
THR A  16
ARG A  15
None
1.19A 3bjwA-4l4qA:
undetectable
3bjwA-4l4qA:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE


(Vibrio cholerae)
PF01135
(PCMT)
4 VAL A  79
VAL A 100
THR A 148
THR A  77
None
None
SAH  A 301 (-3.4A)
None
1.18A 3bjwA-4l7vA:
undetectable
3bjwA-4l7vA:
17.84
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae)
PF00291
(PALP)
4 VAL X 172
VAL X 173
THR X 157
THR X 198
None
1.19A 3bjwA-4li3X:
undetectable
3bjwA-4li3X:
15.29
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.
4n0n REPLICASE
POLYPROTEIN 1AB


(Equine
arteritis virus)
PF01443
(Viral_helicase1)
4 VAL A 182
THR A 165
THR A 224
ARG A 226
None
1.19A 3bjwA-4n0nA:
undetectable
3bjwA-4n0nA:
14.44
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.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE


(Homo sapiens)
PF00067
(p450)
4 VAL A 310
VAL A 311
THR A 356
THR A 306
None
None
None
HEM  A 600 ( 3.2A)
1.17A 3bjwA-4nkyA:
undetectable
3bjwA-4nkyA:
14.83
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.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE


(Caldalkalibacillus
thermarum)
PF07992
(Pyr_redox_2)
4 VAL A 240
VAL A 241
THR A 157
ARG A 234
None
1.21A 3bjwA-4nwzA:
undetectable
3bjwA-4nwzA:
14.03
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.
4oqj PKS

(Streptomyces
albus)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
4 VAL A 169
THR A 371
THR A 173
ARG A 172
None
1.15A 3bjwA-4oqjA:
undetectable
3bjwA-4oqjA:
8.29
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.
4ptx GLYCOSIDE HYDROLASE
FAMILY 1


(Halothermothrix
orenii)
PF00232
(Glyco_hydro_1)
4 VAL A 301
VAL A 315
THR A 224
ARG A 302
None
1.21A 3bjwA-4ptxA:
undetectable
3bjwA-4ptxA:
13.11
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE


(Synechocystis
sp. PCC 6803)
PF07109
(Mg-por_mtran_C)
4 VAL A  51
VAL A  52
THR A 130
THR A  47
None
0.98A 3bjwA-4qdkA:
undetectable
3bjwA-4qdkA:
18.39
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167)
PF00232
(Glyco_hydro_1)
4 VAL A 122
VAL A 166
THR A  81
THR A 124
None
1.05A 3bjwA-4r27A:
undetectable
3bjwA-4r27A:
13.54
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.
4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT


(Pseudomonas
mendocina)
PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
4 VAL A 107
VAL A 108
THR A 182
ARG A 106
None
1.16A 3bjwA-4wqmA:
undetectable
3bjwA-4wqmA:
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.
4xl1 DELTA-LIKE PROTEIN

(Rattus
norvegicus)
PF01414
(DSL)
PF07657
(MNNL)
4 VAL B 173
VAL B 174
THR B 110
ARG B 172
None
None
None
MLY  B 153 ( 3.5A)
1.12A 3bjwA-4xl1B:
undetectable
3bjwA-4xl1B:
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.
4zfz MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I


(Macaca mulatta)
PF00129
(MHC_I)
PF07654
(C1-set)
4 VAL A  24
VAL A  25
THR A  64
THR A  10
None
1.22A 3bjwA-4zfzA:
undetectable
3bjwA-4zfzA:
15.61
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.
5awf FES CLUSTER ASSEMBLY
PROTEIN SUFB


(Escherichia
coli)
PF01458
(UPF0051)
4 VAL A 269
VAL A 268
THR A 283
ARG A 237
None
1.15A 3bjwA-5awfA:
undetectable
3bjwA-5awfA:
13.21
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.
5bq3 RHAMNOSE ABC
TRANSPORTER,
RHAMNOSE-BINDING
PROTEIN


(Actinomyces
odontolyticus)
PF13407
(Peripla_BP_4)
4 VAL A 334
VAL A 335
THR A 135
THR A 327
None
1.22A 3bjwA-5bq3A:
undetectable
3bjwA-5bq3A:
16.61
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.
5cdi CHAPERONIN 60B1

(Chlamydomonas
reinhardtii)
PF00118
(Cpn60_TCP1)
4 VAL A 302
VAL A 301
THR A 314
ARG A 303
None
1.06A 3bjwA-5cdiA:
undetectable
3bjwA-5cdiA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48


(Mycolicibacterium
smegmatis)
PF00004
(AAA)
PF02359
(CDC48_N)
4 VAL A  40
VAL A  39
THR A  66
ARG A  41
None
1.20A 3bjwA-5e7pA:
undetectable
3bjwA-5e7pA:
8.20
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.
5eog PROTEIN MAB-21-LIKE
1


(Homo sapiens)
PF03281
(Mab-21)
4 VAL A 167
VAL A 168
THR A 155
THR A  72
None
1.18A 3bjwA-5eogA:
undetectable
3bjwA-5eogA:
14.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)


(Naja atra)
PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest)
4 VAL A 816
THR A 761
THR A 843
ARG A 817
None
1.20A 3bjwA-5gz4A:
0.9
3bjwA-5gz4A:
8.29
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.
5k1s OXIDOREDUCTASE,
ZINC-BINDING
DEHYDROGENASE FAMILY


(Myxococcus
xanthus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 VAL A 261
VAL A 238
THR A 247
ARG A 260
None
1.16A 3bjwA-5k1sA:
undetectable
3bjwA-5k1sA:
14.40
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.
5mse GREEN FLUORESCENT
PROTEIN


(Aequorea
victoria)
no annotation 4 VAL A 112
VAL A 111
THR A  63
ARG A 113
CRO  A  66 ( 4.9A)
None
None
None
1.17A 3bjwA-5mseA:
undetectable
3bjwA-5mseA:
17.36
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.
5nxn PORIN 1

(Providencia
stuartii)
no annotation 4 VAL A 101
VAL A 100
THR A 249
THR A 104
None
1.16A 3bjwA-5nxnA:
undetectable
3bjwA-5nxnA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5och -

(-)
no annotation 4 VAL B 531
VAL B 530
THR B 496
ARG B 539
None
1.18A 3bjwA-5ochB:
undetectable
3bjwA-5ochB:
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 METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A


(Methanothermococcus
thermolithotrophicus)
PF00374
(NiFeSe_Hases)
4 VAL F 397
VAL F 396
THR F  57
THR F 399
NFU  F 501 (-4.4A)
None
None
NFU  F 501 (-3.7A)
1.14A 3bjwA-5odrF:
undetectable
3bjwA-5odrF:
13.67
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G


(Methanothermococcus
thermolithotrophicus)
PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
4 VAL F 396
VAL F 397
THR E 114
THR F 377
None
NFU  F 501 (-4.4A)
None
None
1.21A 3bjwA-5odrF:
undetectable
3bjwA-5odrF:
13.67
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.
5szp PROTOCADHERIN GAMMA
B7


(Mus musculus)
PF00028
(Cadherin)
PF08266
(Cadherin_2)
4 VAL A 202
VAL A 203
THR A 177
ARG A 201
None
1.16A 3bjwA-5szpA:
undetectable
3bjwA-5szpA:
14.58
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.
5t5w INTERFERON LAMBDA
RECEPTOR 1


(Homo sapiens)
PF01108
(Tissue_fac)
4 VAL B  80
VAL B  37
THR B  11
THR B  82
None
1.15A 3bjwA-5t5wB:
undetectable
3bjwA-5t5wB:
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.
5ulu CADHERIN-23

(Mus musculus)
no annotation 4 VAL A2121
VAL A2122
THR A2050
ARG A2084
None
1.17A 3bjwA-5uluA:
undetectable
3bjwA-5uluA:
18.70
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.
5vbu CYTOCHROME P450
21-HYDROXYLASE


(Homo sapiens)
PF00067
(p450)
4 VAL A 442
VAL A 441
THR A 300
ARG A 445
None
None
HEM  A 501 (-3.4A)
None
1.13A 3bjwA-5vbuA:
undetectable
3bjwA-5vbuA:
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.
5vqi IMPORTIN SUBUNIT
ALPHA


(Neurospora
crassa)
no annotation 4 VAL B 161
VAL B 162
THR B 123
THR B 157
None
1.17A 3bjwA-5vqiB:
undetectable
3bjwA-5vqiB:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xpg UNCHARACTERIZED
PROTEIN


(Thermus
thermophilus)
no annotation 4 VAL A 193
VAL A 262
THR A 201
ARG A 194
None
1.17A 3bjwA-5xpgA:
undetectable
3bjwA-5xpgA:
16.96
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.
5y0s THERMOTOGA MARITIMA
TMCAL


(Thermotoga
maritima)
no annotation 4 VAL A  66
VAL A  67
THR A  93
THR A 343
None
1.20A 3bjwA-5y0sA:
undetectable
3bjwA-5y0sA:
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY


(Thermobifida
fusca)
no annotation 4 VAL A 148
THR A 198
THR A 156
ARG A 155
None
1.14A 3bjwA-6c66A:
undetectable
3bjwA-6c66A:
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.
6ejm SINGLE CHAIN FV
FRAGMENT


(Mus musculus)
no annotation 4 VAL H  75
VAL H  86
THR H 138
ARG H  76
None
1.12A 3bjwA-6ejmH:
undetectable
3bjwA-6ejmH:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB


(Yersinia
pseudotuberculosis)
no annotation 4 VAL A 166
THR A 179
THR A 306
ARG A 307
VAL  A 166 ( 0.6A)
THR  A 179 ( 0.8A)
THR  A 306 ( 0.8A)
ARG  A 307 ( 0.6A)
1.11A 3bjwA-6gefA:
undetectable
3bjwA-6gefA:
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.
6gnf -

(-)
no annotation 4 VAL A   7
VAL A  41
THR A 176
THR A   9
None
1.18A 3bjwA-6gnfA:
1.5
3bjwA-6gnfA:
undetectable