SIMILAR PATTERNS OF AMINO ACIDS FOR 4QW1_H_BO2H301_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.
1a17 SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00515
(TPR_1)
PF08321
(PPP5) 		5 SER A 105
GLY A  83
THR A  86
ALA A  85
ASP A 118
 None
 1.25A 4qw1H-1a17A:
undetectable
4qw1I-1a17A:
undetectable		 4qw1H-1a17A:
21.85
4qw1I-1a17A:
23.61
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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 THR A 243
GLN A 612
GLY A 252
THR A 291
ASP A 535
 None
 1.14A 4qw1H-1c4kA:
undetectable
4qw1I-1c4kA:
undetectable		 4qw1H-1c4kA:
17.71
4qw1I-1c4kA:
15.96
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.
1dhs DEOXYHYPUSINE
SYNTHASE

(Homo sapiens) 		PF01916
(DS) 		5 ALA A  48
GLY A  50
THR A  57
ALA A  56
THR A  52
 None
 1.25A 4qw1H-1dhsA:
undetectable
4qw1I-1dhsA:
undetectable		 4qw1H-1dhsA:
22.62
4qw1I-1dhsA:
20.49
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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.19A 4qw1H-1e3dA:
undetectable
4qw1I-1e3dA:
undetectable		 4qw1H-1e3dA:
22.50
4qw1I-1e3dA:
18.66
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		5 GLN A  34
LYS A 525
ALA A 176
GLY A 177
ASP A  30
 None
 1.18A 4qw1H-1gq1A:
undetectable
4qw1I-1gq1A:
undetectable		 4qw1H-1gq1A:
17.45
4qw1I-1gq1A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i9r IMMUNOGLOBULIN H

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 193
GLY H 139
THR H 140
ALA H 141
THR H 136
 None
 0.86A 4qw1H-1i9rH:
undetectable
4qw1I-1i9rH:
undetectable		 4qw1H-1i9rH:
21.32
4qw1I-1i9rH:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 ALA A 433
GLY A 434
THR A 435
ALA A 438
THR A 437
 None
FAD  A 652 (-3.4A)
FAD  A 652 (-3.6A)
None
None
 0.96A 4qw1H-1o5wA:
undetectable
4qw1I-1o5wA:
undetectable		 4qw1H-1o5wA:
18.82
4qw1I-1o5wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1og0 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Saccharomyces
cerevisiae) 		PF00793
(DAHP_synth_1) 		5 GLN A 268
ALA A 179
GLY A 203
ALA A 211
THR A 182
 None
 1.03A 4qw1H-1og0A:
undetectable
4qw1I-1og0A:
undetectable		 4qw1H-1og0A:
23.40
4qw1I-1og0A:
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.
1og3 T-CELL
ECTO-ADP-RIBOSYLTRAN
SFERASE 2

(Rattus
norvegicus) 		PF01129
(ART) 		5 SER A 147
GLN A 144
ALA A 155
GLY A 127
THR A 128
 NAD  A1227 (-3.1A)
NAD  A1227 (-3.3A)
NAD  A1227 ( 4.0A)
NAD  A1227 (-3.7A)
None
 1.10A 4qw1H-1og3A:
undetectable
4qw1I-1og3A:
undetectable		 4qw1H-1og3A:
22.90
4qw1I-1og3A:
25.00
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.
1pkq (8-18C5) CHIMERIC
FAB, HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 188
GLY B 134
THR B 135
ALA B 136
THR B 131
 None
 0.90A 4qw1H-1pkqB:
undetectable
4qw1I-1pkqB:
undetectable		 4qw1H-1pkqB:
20.74
4qw1I-1pkqB:
24.05
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.33A 4qw1H-1q5qH:
24.1
4qw1I-1q5qH:
24.5		 4qw1H-1q5qH:
26.48
4qw1I-1q5qH:
26.64
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 GLN H  22
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.79A 4qw1H-1q5rH:
22.3
4qw1I-1q5rH:
20.4		 4qw1H-1q5rH:
26.88
4qw1I-1q5rH:
23.33
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.
1rzf FAB E51 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.98A 4qw1H-1rzfH:
undetectable
4qw1I-1rzfH:
undetectable		 4qw1H-1rzfH:
19.46
4qw1I-1rzfH:
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.
1rzg FAB 412D LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER A 188
GLY A 134
THR A 135
ALA A 136
THR A 131
 None
 0.96A 4qw1H-1rzgA:
undetectable
4qw1I-1rzgA:
undetectable		 4qw1H-1rzgA:
21.74
4qw1I-1rzgA:
23.17
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.
1sbz PROBABLE AROMATIC
ACID DECARBOXYLASE

(Escherichia
coli) 		PF02441
(Flavoprotein) 		5 ALA A  13
GLY A  12
THR A  11
ALA A  10
THR A  42
 None
None
FMN  A1401 (-4.4A)
FMN  A1401 (-3.6A)
FMN  A1401 ( 4.8A)
 1.22A 4qw1H-1sbzA:
undetectable
4qw1I-1sbzA:
undetectable		 4qw1H-1sbzA:
24.40
4qw1I-1sbzA:
24.08
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.
1ukr ENDO-1,4-B-XYLANASE
I

(Aspergillus
niger) 		PF00457
(Glyco_hydro_11) 		5 SER A  65
ALA A 175
GLY A 176
ALA A  60
ASP A  85
 None
 1.18A 4qw1H-1ukrA:
undetectable
4qw1I-1ukrA:
undetectable		 4qw1H-1ukrA:
19.33
4qw1I-1ukrA:
20.72
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.
1um4 ANTIBODY 21H3 H
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 194
GLY H 140
THR H 141
ALA H 142
THR H 137
 None
 0.84A 4qw1H-1um4H:
undetectable
4qw1I-1um4H:
undetectable		 4qw1H-1um4H:
22.45
4qw1I-1um4H:
24.79
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.
1uwe ANTIBODY 14D9

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.88A 4qw1H-1uweH:
undetectable
4qw1I-1uweH:
undetectable		 4qw1H-1uweH:
22.48
4qw1I-1uweH:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uxz CELLULASE B

(Cellvibrio
mixtus) 		PF03422
(CBM_6) 		5 GLY A  91
THR A  94
ALA A  62
THR A  89
ASP A  24
 None
 1.22A 4qw1H-1uxzA:
undetectable
4qw1I-1uxzA:
undetectable		 4qw1H-1uxzA:
20.17
4qw1I-1uxzA:
20.49
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.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		5 THR A  72
ALA A 145
GLY A 144
ALA A 147
THR A 148
 None
 1.26A 4qw1H-1v8dA:
undetectable
4qw1I-1v8dA:
undetectable		 4qw1H-1v8dA:
21.35
4qw1I-1v8dA:
23.65
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		5 SER 1 105
GLY 1  83
THR 1  86
ALA 1  85
ASP 1 118
 None
 1.24A 4qw1H-1wao1:
undetectable
4qw1I-1wao1:
undetectable		 4qw1H-1wao1:
18.84
4qw1I-1wao1:
17.82
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A 114
GLY A  77
THR A  78
ALA A 138
THR A 278
 None
 1.26A 4qw1H-1x9eA:
undetectable
4qw1I-1x9eA:
undetectable		 4qw1H-1x9eA:
21.59
4qw1I-1x9eA:
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.
2b4c ANTI-HIV-1 GP120
IMMUNOGLOBULIN X5
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.92A 4qw1H-2b4cH:
undetectable
4qw1I-2b4cH:
undetectable		 4qw1H-2b4cH:
20.72
4qw1I-2b4cH:
21.86
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.
2eh7 HUMANIZED KR127 FAB,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.95A 4qw1H-2eh7H:
undetectable
4qw1I-2eh7H:
undetectable		 4qw1H-2eh7H:
21.43
4qw1I-2eh7H:
22.84
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
LYS H 333
ALA H 346
GLY H 347
ALA H 352
 None
 1.10A 4qw1H-2fhgH:
23.4
4qw1I-2fhgH:
23.9		 4qw1H-2fhgH:
26.85
4qw1I-2fhgH:
23.05
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
SER H 320
GLN H 322
LYS H 333
ALA H 349
 None
 0.91A 4qw1H-2fhgH:
23.4
4qw1I-2fhgH:
23.9		 4qw1H-2fhgH:
26.85
4qw1I-2fhgH:
23.05
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 7 THR H 301
SER H 320
LYS H 333
ALA H 346
GLY H 347
THR H 348
ALA H 349
 None
 0.42A 4qw1H-2fhgH:
23.4
4qw1I-2fhgH:
23.9		 4qw1H-2fhgH:
26.85
4qw1I-2fhgH:
23.05
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 ALA A 143
GLY A 432
THR A 431
ALA A 434
THR A 435
 None
 1.29A 4qw1H-2gahA:
undetectable
4qw1I-2gahA:
undetectable		 4qw1H-2gahA:
14.29
4qw1I-2gahA:
11.28
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.
2jz4 JASMONATE INDUCIBLE
PROTEIN ISOLOG

(Arabidopsis
thaliana) 		PF01419
(Jacalin) 		5 ALA A 263
GLY A 264
THR A 265
ALA A 266
THR A 232
 None
 0.84A 4qw1H-2jz4A:
undetectable
4qw1I-2jz4A:
undetectable		 4qw1H-2jz4A:
23.20
4qw1I-2jz4A:
21.97
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 ALA A 433
GLY A 434
THR A 435
ALA A 438
THR A 437
 None
FAD  A 600 (-3.1A)
FAD  A 600 (-3.4A)
None
None
 0.94A 4qw1H-2z5xA:
undetectable
4qw1I-2z5xA:
undetectable		 4qw1H-2z5xA:
18.93
4qw1I-2z5xA:
15.58
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.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 THR C  44
ALA C  11
GLY C  10
THR C   8
ALA C  32
 None
NAD  C4300 ( 4.0A)
None
None
None
 1.24A 4qw1H-3a28C:
undetectable
4qw1I-3a28C:
undetectable		 4qw1H-3a28C:
22.89
4qw1I-3a28C:
23.77
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.
3alr NANOS PROTEIN

(Danio rerio) 		PF05741
(zf-nanos) 		5 ALA A 135
GLY A 134
THR A 133
ALA A 132
CYH A 130
 None
None
None
ZN  A 602 ( 4.7A)
ZN  A 602 (-2.3A)
 1.17A 4qw1H-3alrA:
undetectable
4qw1I-3alrA:
undetectable		 4qw1H-3alrA:
19.30
4qw1I-3alrA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjy PUTATIVE
THIOESTERASE

(Novosphingobium
aromaticivorans) 		PF13622
(4HBT_3) 		5 CYH A 219
ALA A 213
GLY A 212
THR A 211
ALA A 248
 None
 1.26A 4qw1H-3cjyA:
undetectable
4qw1I-3cjyA:
undetectable		 4qw1H-3cjyA:
21.90
4qw1I-3cjyA:
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.
3d85 FAB OF ANTIBODY
7G10, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 190
GLY B 136
THR B 137
ALA B 138
THR B 133
 None
 0.80A 4qw1H-3d85B:
undetectable
4qw1I-3d85B:
undetectable		 4qw1H-3d85B:
22.01
4qw1I-3d85B:
23.01
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		5 SER A 168
ALA A 227
GLY A 228
ALA A 151
ASP A 231
 None
 1.21A 4qw1H-3h6eA:
undetectable
4qw1I-3h6eA:
undetectable		 4qw1H-3h6eA:
20.84
4qw1I-3h6eA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9g SONEPCIZUMAB
ANTIBODY FAB
FRAGMENT, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.88A 4qw1H-3i9gH:
undetectable
4qw1I-3i9gH:
undetectable		 4qw1H-3i9gH:
20.55
4qw1I-3i9gH:
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.
3jbh MYOSIN 2 HEAVY CHAIN
STRIATED MUSCLE

(Aphonopelma) 		PF00063
(Myosin_head)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 CYH A 517
ALA A 581
GLY A 582
THR A 583
ALA A 578
 None
 1.26A 4qw1H-3jbhA:
undetectable
4qw1I-3jbhA:
undetectable		 4qw1H-3jbhA:
7.51
4qw1I-3jbhA:
7.22
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 SER A 101
ALA A 126
GLY A 127
THR A 128
ALA A 129
 None
 0.91A 4qw1H-3ktdA:
undetectable
4qw1I-3ktdA:
undetectable		 4qw1H-3ktdA:
21.71
4qw1I-3ktdA:
21.64
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		5 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.13A 4qw1H-3lezA:
undetectable
4qw1I-3lezA:
undetectable		 4qw1H-3lezA:
24.65
4qw1I-3lezA:
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
LYS N  33
GLY N  47
ALA N  49
THR N  52
 None
 0.61A 4qw1H-3mg6N:
27.5
4qw1I-3mg6N:
27.5		 4qw1H-3mg6N:
29.49
4qw1I-3mg6N:
23.00
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.
3oaz FAB 2G12, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 197
GLY H 136
THR H 137
ALA H 138
THR H 133
 None
 0.92A 4qw1H-3oazH:
undetectable
4qw1I-3oazH:
undetectable		 4qw1H-3oazH:
20.32
4qw1I-3oazH:
23.27
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.
3qo0 FAB FRAGMENT OF
IMMUNOGLOBULIN G1
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 194
GLY B 140
THR B 141
ALA B 142
THR B 137
 None
 0.93A 4qw1H-3qo0B:
undetectable
4qw1I-3qo0B:
undetectable		 4qw1H-3qo0B:
20.90
4qw1I-3qo0B:
22.27
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.
3qpx FAB C2507 HEAVY
CHAIN

(Homo sapiens;
Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 194
GLY H 140
THR H 141
ALA H 142
THR H 137
 None
 0.84A 4qw1H-3qpxH:
undetectable
4qw1I-3qpxH:
undetectable		 4qw1H-3qpxH:
20.90
4qw1I-3qpxH:
22.36
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.
3u1s FAB PGT145 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 193
GLY H 139
THR H 140
ALA H 141
THR H 136
 None
 0.87A 4qw1H-3u1sH:
undetectable
4qw1I-3u1sH:
undetectable		 4qw1H-3u1sH:
23.55
4qw1I-3u1sH:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
CYH H  31
LYS H  33
ALA H  46
GLY H  47
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 ( 3.7A)
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.58A 4qw1H-3unfH:
34.1
4qw1I-3unfH:
28.7		 4qw1H-3unfH:
46.78
4qw1I-3unfH:
23.83
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 THR A 131
ALA A 149
GLY A 150
THR A 151
ASP A 153
 None
 1.23A 4qw1H-3v76A:
undetectable
4qw1I-3v76A:
undetectable		 4qw1H-3v76A:
20.00
4qw1I-3v76A:
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.27A 4qw1H-3wiqA:
undetectable
4qw1I-3wiqA:
undetectable		 4qw1H-3wiqA:
16.69
4qw1I-3wiqA:
14.15
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
LYS L  33
ALA L  46
GLY L  47
ALA L  49
 None
 0.45A 4qw1H-3wxrL:
27.2
4qw1I-3wxrL:
25.4		 4qw1H-3wxrL:
29.29
4qw1I-3wxrL:
22.60
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.
3zdp NUCLEOCAPSID PROTEIN

(Influenza A
virus) 		PF00506
(Flu_NP) 		5 THR A 134
CYH A 275
ALA A 179
GLY A 180
ASP A 145
 None
 1.08A 4qw1H-3zdpA:
undetectable
4qw1I-3zdpA:
undetectable		 4qw1H-3zdpA:
19.09
4qw1I-3zdpA:
17.52
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 ALA A 424
GLY A 425
THR A 426
ALA A 429
THR A 428
 None
FAD  A 600 (-3.3A)
FAD  A 600 (-3.4A)
None
None
 0.97A 4qw1H-3zyxA:
undetectable
4qw1I-3zyxA:
undetectable		 4qw1H-3zyxA:
17.68
4qw1I-3zyxA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f33 MORAB-009 FAB HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 194
GLY B 140
THR B 141
ALA B 142
THR B 137
 None
 0.79A 4qw1H-4f33B:
undetectable
4qw1I-4f33B:
undetectable		 4qw1H-4f33B:
21.03
4qw1I-4f33B:
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.
4hfu FAB 8M2 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.96A 4qw1H-4hfuH:
undetectable
4qw1I-4hfuH:
undetectable		 4qw1H-4hfuH:
20.00
4qw1I-4hfuH:
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 GLN A 320
ALA A 108
GLY A 107
ALA A 105
ASP A 324
 None
 0.93A 4qw1H-4hkmA:
undetectable
4qw1I-4hkmA:
undetectable		 4qw1H-4hkmA:
21.22
4qw1I-4hkmA:
23.33
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.
4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE

(Sorghum bicolor) 		PF02458
(Transferase) 		5 ALA A 289
GLY A 328
THR A 329
ALA A 332
THR A 331
 None
 1.24A 4qw1H-4ke4A:
undetectable
4qw1I-4ke4A:
undetectable		 4qw1H-4ke4A:
21.95
4qw1I-4ke4A:
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		5 SER A 223
ALA A 265
GLY A 285
THR A 286
ALA A 283
 None
 1.12A 4qw1H-4m1rA:
undetectable
4qw1I-4m1rA:
undetectable		 4qw1H-4m1rA:
22.19
4qw1I-4m1rA:
21.97
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		5 SER A 223
ALA A 265
THR A 286
ALA A 283
THR A 282
 None
 1.23A 4qw1H-4m1rA:
undetectable
4qw1I-4m1rA:
undetectable		 4qw1H-4m1rA:
22.19
4qw1I-4m1rA:
21.97
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		5 SER A 152
ALA A 217
GLY A 216
THR A 215
THR A 235
 None
 1.17A 4qw1H-4mh1A:
undetectable
4qw1I-4mh1A:
undetectable		 4qw1H-4mh1A:
19.34
4qw1I-4mh1A:
16.58
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.
4oaw HEAVY CHAIN OF FAB
FRAGMENT OF
ANTI-HIV1 GP120 V2
MAB 2158

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 205
GLY B 151
THR B 152
ALA B 153
THR B 148
 None
 0.87A 4qw1H-4oawB:
undetectable
4qw1I-4oawB:
undetectable		 4qw1H-4oawB:
21.84
4qw1I-4oawB:
23.32
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.
4ocw CAP256-VRC26.06
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.88A 4qw1H-4ocwH:
undetectable
4qw1I-4ocwH:
undetectable		 4qw1H-4ocwH:
22.34
4qw1I-4ocwH:
23.31
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.
4od1 CAP256-VRC26.03
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.93A 4qw1H-4od1H:
undetectable
4qw1I-4od1H:
undetectable		 4qw1H-4od1H:
22.18
4qw1I-4od1H:
25.38
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.
4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE

(Mycolicibacterium
smegmatis) 		PF04127
(DFP) 		5 THR A 239
SER A 213
ALA A 236
GLY A 237
ALA A 277
 None
None
None
None
CTP  A 500 (-4.8A)
 1.29A 4qw1H-4qjiA:
undetectable
4qw1I-4qjiA:
undetectable		 4qw1H-4qjiA:
23.60
4qw1I-4qjiA:
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 THR A 466
ALA A 439
GLY A 440
THR A 441
ASP A 622
 None
 1.21A 4qw1H-4qmeA:
undetectable
4qw1I-4qmeA:
2.2		 4qw1H-4qmeA:
14.38
4qw1I-4qmeA:
12.69
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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.36A 4qw1H-4qv9K:
27.5
4qw1I-4qv9K:
25.6		 4qw1H-4qv9K:
29.29
4qw1I-4qv9K:
27.19
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.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		5 GLN A  49
ALA A 185
GLY A 184
THR A 187
THR A 205
 FAD  A 502 (-4.2A)
None
None
FAD  A 502 (-4.3A)
None
 1.23A 4qw1H-4rslA:
undetectable
4qw1I-4rslA:
undetectable		 4qw1H-4rslA:
19.20
4qw1I-4rslA:
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.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 202
GLY H 148
THR H 149
ALA H 150
THR H 145
 None
 0.77A 4qw1H-4ye4H:
undetectable
4qw1I-4ye4H:
undetectable		 4qw1H-4ye4H:
24.22
4qw1I-4ye4H:
23.48
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT F

(Oryctolagus
cuniculus) 		PF01398
(JAB)
PF13012
(MitMem_reg) 		5 THR F 200
GLY F 196
THR F 195
ALA F 194
THR F 221
 None
 1.12A 4qw1H-5a5tF:
undetectable
4qw1I-5a5tF:
undetectable		 4qw1H-5a5tF:
20.33
4qw1I-5a5tF:
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.
5d04 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Neisseria
meningitidis) 		PF00793
(DAHP_synth_1) 		5 GLN C 254
ALA C 166
GLY C 190
ALA C 198
THR C 169
 None
CL  C 403 ( 4.7A)
None
None
None
 1.11A 4qw1H-5d04C:
undetectable
4qw1I-5d04C:
undetectable		 4qw1H-5d04C:
22.35
4qw1I-5d04C:
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A 369
GLY A 370
THR A  20
ASP A  99
CYH A  95
 None
ADP  A 501 (-3.3A)
None
None
None
 1.28A 4qw1H-5dmhA:
undetectable
4qw1I-5dmhA:
undetectable		 4qw1H-5dmhA:
22.04
4qw1I-5dmhA:
18.28
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 GLN A 335
ALA A 270
GLY A 271
ALA A 273
THR A 277
 ADP  A 501 ( 4.9A)
None
ADP  A 501 (-3.6A)
ADP  A 501 ( 4.5A)
None
 1.26A 4qw1H-5dmhA:
undetectable
4qw1I-5dmhA:
undetectable		 4qw1H-5dmhA:
22.04
4qw1I-5dmhA:
18.28
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A 277
LYS A 412
ALA A 270
GLY A 271
THR A 373
 None
None
None
ADP  A 501 (-3.6A)
ADP  A 501 (-3.8A)
 1.19A 4qw1H-5dmhA:
undetectable
4qw1I-5dmhA:
undetectable		 4qw1H-5dmhA:
22.04
4qw1I-5dmhA:
18.28
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.
5f89 CAP248-2B HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.86A 4qw1H-5f89H:
undetectable
4qw1I-5f89H:
undetectable		 4qw1H-5f89H:
18.60
4qw1I-5f89H:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
CYH H  31
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
THR H  52
 None
 0.36A 4qw1H-5fg9H:
36.6
4qw1I-5fg9H:
22.1		 4qw1H-5fg9H:
98.31
4qw1I-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
GLN H  22
CYH H  31
LYS H  33
ALA H  46
GLY H  47
ALA H  49
THR H  52
 None
 0.89A 4qw1H-5fg9H:
36.6
4qw1I-5fg9H:
22.1		 4qw1H-5fg9H:
98.31
4qw1I-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
SER H  20
GLN H  22
CYH H  31
LYS H  33
ALA H  46
ALA H  49
THR H  52
 None
 0.97A 4qw1H-5fg9H:
36.6
4qw1I-5fg9H:
22.1		 4qw1H-5fg9H:
98.31
4qw1I-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 LYS I  33
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.09A 4qw1H-5fmgI:
28.6
4qw1I-5fmgI:
26.6		 4qw1H-5fmgI:
48.94
4qw1I-5fmgI:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 0.90A 4qw1H-5fmgI:
28.6
4qw1I-5fmgI:
26.6		 4qw1H-5fmgI:
48.94
4qw1I-5fmgI:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
CYH I  31
ALA I  46
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.76A 4qw1H-5fmgI:
28.6
4qw1I-5fmgI:
26.6		 4qw1H-5fmgI:
48.94
4qw1I-5fmgI:
21.96
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 SER A 328
ALA A 312
GLY A 307
THR A 306
THR A  69
 None
 1.23A 4qw1H-5i2hA:
undetectable
4qw1I-5i2hA:
undetectable		 4qw1H-5i2hA:
21.43
4qw1I-5i2hA:
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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 THR A 201
SER A 230
THR A 197
ALA A 226
THR A 144
 None
None
1VU  A 601 ( 4.8A)
None
None
 1.28A 4qw1H-5jfmA:
undetectable
4qw1I-5jfmA:
undetectable		 4qw1H-5jfmA:
20.84
4qw1I-5jfmA:
17.66
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.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		5 ALA A 264
GLY A 204
THR A 203
ALA A 202
ASP A 336
 None
 1.23A 4qw1H-5jp6A:
undetectable
4qw1I-5jp6A:
undetectable		 4qw1H-5jp6A:
23.31
4qw1I-5jp6A:
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.
5kan 16.G.07 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER G 203
GLY G 149
THR G 150
ALA G 151
THR G 146
 None
 1.20A 4qw1H-5kanG:
undetectable
4qw1I-5kanG:
undetectable		 4qw1H-5kanG:
21.15
4qw1I-5kanG:
23.58
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.
5l39 RMM MICROCOMPARTMENT
SHELL PROTEIN
MSM0275

(Mycolicibacterium
smegmatis) 		PF00936
(BMC) 		5 GLN A  70
ALA A 149
GLY A 174
THR A 173
ALA A 144
 None
 1.09A 4qw1H-5l39A:
undetectable
4qw1I-5l39A:
undetectable		 4qw1H-5l39A:
22.05
4qw1I-5l39A:
24.39
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.43A 4qw1H-5l5wK:
27.5
4qw1I-5l5wK:
25.4		 4qw1H-5l5wK:
29.61
4qw1I-5l5wK:
23.87
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.
5loy DESIGNED ANBU
PROTEIN

(synthetic
construct) 		PF00227
(Proteasome) 		5 THR A   1
LYS A  32
ALA A  49
GLY A  50
THR A  55
 None
 0.85A 4qw1H-5loyA:
5.8
4qw1I-5loyA:
20.8		 4qw1H-5loyA:
23.14
4qw1I-5loyA:
29.10
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.
5mxf PHOTORHABDUS
ASYMBIOTICA LECTIN
PHL

(Photorhabdus
asymbiotica) 		PF03984
(DUF346) 		5 GLN A 203
ALA A 158
GLY A 137
ALA A 133
THR A  88
 None
 1.28A 4qw1H-5mxfA:
undetectable
4qw1I-5mxfA:
undetectable		 4qw1H-5mxfA:
21.49
4qw1I-5mxfA:
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.
5n4g HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 190
GLY H 136
THR H 137
ALA H 138
THR H 133
 None
 0.84A 4qw1H-5n4gH:
undetectable
4qw1I-5n4gH:
undetectable		 4qw1H-5n4gH:
23.64
4qw1I-5n4gH:
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.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
LYS R  33
ALA R  46
GLY R  47
ALA R  49
 None
 0.86A 4qw1H-5t0gR:
25.4
4qw1I-5t0gR:
24.1		 4qw1H-5t0gR:
28.33
4qw1I-5t0gR:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR O   1
CYH O  31
LYS O  33
ALA O  46
GLY O  47
THR O  48
ALA O  49
THR O  52
 None
 0.97A 4qw1H-5t0hO:
28.7
4qw1I-5t0hO:
26.2		 4qw1H-5t0hO:
56.17
4qw1I-5t0hO:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		5 SER A 196
ALA A 215
GLY A 205
THR A 206
ALA A 207
 None
 1.16A 4qw1H-5tvgA:
undetectable
4qw1I-5tvgA:
undetectable		 4qw1H-5tvgA:
20.75
4qw1I-5tvgA:
17.54
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.
5u3j DH511.1 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.85A 4qw1H-5u3jH:
undetectable
4qw1I-5u3jH:
undetectable		 4qw1H-5u3jH:
22.43
4qw1I-5u3jH:
22.13
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.
5u3n DH511.12P FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.86A 4qw1H-5u3nH:
undetectable
4qw1I-5u3nH:
undetectable		 4qw1H-5u3nH:
21.84
4qw1I-5u3nH:
22.13
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.
5uem 354NC37 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.89A 4qw1H-5uemH:
undetectable
4qw1I-5uemH:
undetectable		 4qw1H-5uemH:
15.81
4qw1I-5uemH:
21.13
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 THR A 673
ALA A 670
GLY A 669
THR A 668
ALA A 688
 NAD  A2002 (-2.9A)
NAD  A2002 (-3.5A)
NAD  A2002 (-3.3A)
None
None
 1.14A 4qw1H-5ux5A:
undetectable
4qw1I-5ux5A:
undetectable		 4qw1H-5ux5A:
13.14
4qw1I-5ux5A:
10.45
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.
5vwk PROTEIN SCRIBBLE
HOMOLOG

(Homo sapiens) 		no annotation 5 GLN A 734
ALA A 803
GLY A 804
THR A 805
ALA A 806
 None
 1.13A 4qw1H-5vwkA:
undetectable
4qw1I-5vwkA:
undetectable		 4qw1H-5vwkA:
20.64
4qw1I-5vwkA:
22.75
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.
5wcc VRC 315 02-1F07 FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.85A 4qw1H-5wccH:
undetectable
4qw1I-5wccH:
undetectable		 4qw1H-5wccH:
16.90
4qw1I-5wccH:
17.50
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.
5wna MAB 3D3 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 199
GLY H 145
THR H 146
ALA H 147
THR H 142
 None
 0.85A 4qw1H-5wnaH:
undetectable
4qw1I-5wnaH:
undetectable		 4qw1H-5wnaH:
18.50
4qw1I-5wnaH:
21.48
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.
5x5x FD CHAIN OF
ANTI-OSTEOCALCIN
ANTIBODY KTM219

(Mus musculus) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.74A 4qw1H-5x5xH:
undetectable
4qw1I-5x5xH:
undetectable		 4qw1H-5x5xH:
15.09
4qw1I-5x5xH:
19.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 THR B   1
CYH B  31
LYS B  33
ALA B  46
GLY B  47
ALA B  49
 None
 0.94A 4qw1H-6avoB:
22.0
4qw1I-6avoB:
18.7		 4qw1H-6avoB:
43.40
4qw1I-6avoB:
19.10
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.
6dfp VCA0883

(Vibrio cholerae) 		no annotation 5 THR A 214
SER A 225
ALA A 216
ALA A 218
THR A 220
 None
 1.18A 4qw1H-6dfpA:
undetectable
4qw1I-6dfpA:
undetectable		 4qw1H-6dfpA:
17.27
4qw1I-6dfpA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 5 THR X  77
CYH X  47
ALA X  73
ALA X  71
CYH X  69
 None
SF4  X 701 (-2.3A)
None
SF4  X 701 ( 4.2A)
SF4  X 701 (-2.2A)
 1.06A 4qw1H-6elqX:
undetectable
4qw1I-6elqX:
undetectable		 4qw1H-6elqX:
15.95
4qw1I-6elqX:
16.59