SIMILAR PATTERNS OF AMINO ACIDS FOR 6HWD_H_BO2H301_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.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		5 GLN A 365
ALA A 364
ALA A 162
GLY A 166
ALA A 188
 None
 0.95A 6hwdH-1hsjA:
undetectable
6hwdI-1hsjA:
undetectable		 6hwdH-1hsjA:
11.31
6hwdI-1hsjA:
10.54
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.
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
 0.90A 6hwdH-1i9rH:
undetectable
6hwdI-1i9rH:
undetectable		 6hwdH-1i9rH:
18.56
6hwdI-1i9rH:
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
ALA H  27
LYS H  33
ALA H  46
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 ( 4.7A)
CIB  H1001 (-4.4A)
 0.35A 6hwdH-1j2qH:
28.0
6hwdI-1j2qH:
28.1		 6hwdH-1j2qH:
19.29
6hwdI-1j2qH:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l0q SURFACE LAYER
PROTEIN

(Methanosarcina
mazei) 		PF00801
(PKD)
PF10282
(Lactonase) 		5 GLN A 293
ALA A 122
ALA A 247
GLY A 248
THR A 217
 None
 0.89A 6hwdH-1l0qA:
undetectable
6hwdI-1l0qA:
undetectable		 6hwdH-1l0qA:
14.43
6hwdI-1l0qA:
10.31
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.
1mg1 PROTEIN (HTLV-1 GP21
ECTODOMAIN/MALTOSE-B
INDING PROTEIN
CHIMERA)

(Primate
T-lymphotropic
virus 1) 		PF00429
(TLV_coat)
PF13416
(SBP_bac_8) 		5 GLN A 366
ALA A 365
ALA A 163
GLY A 167
ALA A 189
 None
 1.00A 6hwdH-1mg1A:
undetectable
6hwdI-1mg1A:
undetectable		 6hwdH-1mg1A:
11.30
6hwdI-1mg1A:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 6hwdH-1o5wA:
undetectable
6hwdI-1o5wA:
undetectable		 6hwdH-1o5wA:
11.50
6hwdI-1o5wA:
11.40
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 ALA A  28
ALA A  48
GLY A  56
ALA A  58
THR A 100
 None
 1.02A 6hwdH-1ocmA:
undetectable
6hwdI-1ocmA:
undetectable		 6hwdH-1ocmA:
10.00
6hwdI-1ocmA:
10.54
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		8 THR H   1
GLN H  22
ALA H  27
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.59A 6hwdH-1q5qH:
24.1
6hwdI-1q5qH:
24.5		 6hwdH-1q5qH:
19.48
6hwdI-1q5qH:
15.22
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 GLN H  22
ALA H  27
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.48A 6hwdH-1q5rH:
22.3
6hwdI-1q5rH:
20.4		 6hwdH-1q5rH:
19.48
6hwdI-1q5rH:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 6hwdH-1rzfH:
undetectable
6hwdI-1rzfH:
undetectable		 6hwdH-1rzfH:
19.78
6hwdI-1rzfH:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 6hwdH-1rzgA:
undetectable
6hwdI-1rzgA:
undetectable		 6hwdH-1rzgA:
19.90
6hwdI-1rzgA:
15.15
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.
1thm THERMITASE

(Thermoactinomyces
vulgaris) 		PF00082
(Peptidase_S8) 		5 ALA A  32
ALA A  81
GLY A  91
THR A  92
ALA A  79
 None
 1.02A 6hwdH-1thmA:
undetectable
6hwdI-1thmA:
undetectable		 6hwdH-1thmA:
17.89
6hwdI-1thmA:
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.
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
 0.93A 6hwdH-1um4H:
undetectable
6hwdI-1um4H:
undetectable		 6hwdH-1um4H:
19.69
6hwdI-1um4H:
23.97
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.
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
 0.96A 6hwdH-1uweH:
undetectable
6hwdI-1uweH:
undetectable		 6hwdH-1uweH:
19.78
6hwdI-1uweH:
16.20
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.
1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 GLN A 365
ALA A 364
ALA A 162
GLY A 166
ALA A 188
 None
 0.95A 6hwdH-1y4cA:
undetectable
6hwdI-1y4cA:
undetectable		 6hwdH-1y4cA:
13.30
6hwdI-1y4cA:
11.76
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLN A 323
ALA A 327
ALA A  11
GLY A  12
ALA A 141
 None
None
None
FAD  A 480 (-3.5A)
FAD  A 480 (-4.6A)
 1.03A 6hwdH-2a8xA:
undetectable
6hwdI-2a8xA:
undetectable		 6hwdH-2a8xA:
11.11
6hwdI-2a8xA:
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.
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
 1.05A 6hwdH-2b4cH:
undetectable
6hwdI-2b4cH:
undetectable		 6hwdH-2b4cH:
17.31
6hwdI-2b4cH:
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.
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
 1.01A 6hwdH-2eh7H:
undetectable
6hwdI-2eh7H:
undetectable		 6hwdH-2eh7H:
19.90
6hwdI-2eh7H:
15.28
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 7 THR H 301
GLN H 322
LYS H 333
ALA H 346
GLY H 347
THR H 348
ALA H 349
 None
 0.60A 6hwdH-2fhgH:
23.4
6hwdI-2fhgH:
24.0		 6hwdH-2fhgH:
25.73
6hwdI-2fhgH:
17.57
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.
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
 0.49A 6hwdH-2fhgH:
23.4
6hwdI-2fhgH:
24.0		 6hwdH-2fhgH:
25.73
6hwdI-2fhgH:
17.57
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.
2i44 SERINE-THREONINE
PHOSPHATASE 2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 THR A 306
ALA A 299
GLY A 274
THR A 272
ALA A 271
 None
None
CA  A 401 ( 4.8A)
None
None
 1.03A 6hwdH-2i44A:
3.5
6hwdI-2i44A:
undetectable		 6hwdH-2i44A:
15.30
6hwdI-2i44A:
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 6hwdH-2jz4A:
undetectable
6hwdI-2jz4A:
undetectable		 6hwdH-2jz4A:
15.71
6hwdI-2jz4A:
15.75
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.
2rcs IMMUNOGLOBULIN 48G7
GERMLINE FAB

(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
 1.03A 6hwdH-2rcsH:
undetectable
6hwdI-2rcsH:
undetectable		 6hwdH-2rcsH:
20.53
6hwdI-2rcsH:
17.29
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.
2rkb SERINE
DEHYDRATASE-LIKE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 278
ALA A 231
GLY A 230
ALA A 204
ASP A 254
 None
None
None
K  A 401 (-4.7A)
None
 0.97A 6hwdH-2rkbA:
undetectable
6hwdI-2rkbA:
undetectable		 6hwdH-2rkbA:
14.38
6hwdI-2rkbA:
15.83
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.
2xtj FAB FROM A HUMAN
MONOCLONAL ANTIBODY,
1D05

(Homo sapiens) 		PF07654
(C1-set) 		5 SER E 206
GLY E 152
THR E 153
ALA E 154
THR E 149
 None
 1.02A 6hwdH-2xtjE:
undetectable
6hwdI-2xtjE:
undetectable		 6hwdH-2xtjE:
18.11
6hwdI-2xtjE:
20.34
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.
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
 0.96A 6hwdH-2z5xA:
undetectable
6hwdI-2z5xA:
undetectable		 6hwdH-2z5xA:
10.79
6hwdI-2z5xA:
11.51
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.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		5 ALA A 257
ALA A 144
GLY A 145
THR A 146
ALA A 147
 None
 0.97A 6hwdH-3bfjA:
undetectable
6hwdI-3bfjA:
undetectable		 6hwdH-3bfjA:
14.94
6hwdI-3bfjA:
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 GLN A 379
ALA A 383
ALA A   9
GLY A  10
ALA A 149
 None
None
None
FAD  A 622 (-3.4A)
None
 1.06A 6hwdH-3cp8A:
undetectable
6hwdI-3cp8A:
undetectable		 6hwdH-3cp8A:
9.74
6hwdI-3cp8A:
8.74
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.
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
 0.87A 6hwdH-3d85B:
undetectable
6hwdI-3d85B:
undetectable		 6hwdH-3d85B:
19.75
6hwdI-3d85B:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dj4 BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ALA A 446
ALA A 434
GLY A 415
THR A 414
THR A 418
 None
 1.01A 6hwdH-3dj4A:
undetectable
6hwdI-3dj4A:
undetectable		 6hwdH-3dj4A:
16.35
6hwdI-3dj4A:
10.11
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		5 THR A 248
ALA A 297
ALA A 197
GLY A 335
THR A 336
 None
 1.07A 6hwdH-3fjyA:
undetectable
6hwdI-3fjyA:
undetectable		 6hwdH-3fjyA:
14.96
6hwdI-3fjyA:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 GLN A 390
ALA A 379
ALA A  68
ALA A 472
ASP A 451
 None
 1.03A 6hwdH-3foaA:
undetectable
6hwdI-3foaA:
undetectable		 6hwdH-3foaA:
11.00
6hwdI-3foaA:
8.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0t FAB FRAGMENT, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 197
GLY B 143
THR B 144
ALA B 145
THR B 140
 None
 0.97A 6hwdH-3h0tB:
undetectable
6hwdI-3h0tB:
undetectable		 6hwdH-3h0tB:
18.40
6hwdI-3h0tB:
15.77
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.
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
 0.99A 6hwdH-3i9gH:
undetectable
6hwdI-3i9gH:
undetectable		 6hwdH-3i9gH:
18.71
6hwdI-3i9gH:
13.96
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 GLN U 390
ALA U 379
ALA U  68
ALA U 472
ASP U 451
 None
 1.03A 6hwdH-3j2nU:
undetectable
6hwdI-3j2nU:
undetectable		 6hwdH-3j2nU:
8.50
6hwdI-3j2nU:
8.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 SER A 101
ALA A 126
GLY A 127
THR A 128
ALA A 129
 None
 0.93A 6hwdH-3ktdA:
undetectable
6hwdI-3ktdA:
undetectable		 6hwdH-3ktdA:
14.76
6hwdI-3ktdA:
12.65
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.
3kw7 LACCASE B

(Trametes sp.
AH28-2) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLN A 354
ALA A 359
ALA A 449
GLY A 450
ALA A 471
 None
 0.85A 6hwdH-3kw7A:
undetectable
6hwdI-3kw7A:
undetectable		 6hwdH-3kw7A:
11.19
6hwdI-3kw7A:
9.48
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.
3l7f H2L6 HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 196
GLY H 142
THR H 143
ALA H 144
THR H 139
 None
 0.97A 6hwdH-3l7fH:
undetectable
6hwdI-3l7fH:
undetectable		 6hwdH-3l7fH:
19.29
6hwdI-3l7fH:
17.19
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 6 THR N   1
ALA N  27
LYS N  33
GLY N  47
ALA N  49
THR N  52
 None
 0.60A 6hwdH-3mg6N:
27.5
6hwdI-3mg6N:
27.5		 6hwdH-3mg6N:
20.92
6hwdI-3mg6N:
17.30
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.
3mlw HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 1006-15D
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
 1.07A 6hwdH-3mlwH:
undetectable
6hwdI-3mlwH:
undetectable		 6hwdH-3mlwH:
20.30
6hwdI-3mlwH:
17.32
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.
3mp6 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,LINKER,SAGA-
ASSOCIATED FACTOR 29

(Escherichia
coli;
Saccharomyces
cerevisiae;
unidentified) 		PF07039
(DUF1325)
PF13416
(SBP_bac_8) 		5 GLN A1103
ALA A1102
ALA A 900
GLY A 904
ALA A 926
 None
 0.99A 6hwdH-3mp6A:
undetectable
6hwdI-3mp6A:
undetectable		 6hwdH-3mp6A:
9.88
6hwdI-3mp6A:
10.87
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.
3n94 FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PITUITARY
ADENYLATE CYCLASE 1
RECEPTOR-SHORT

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		5 GLN A  17
ALA A  16
ALA A-186
GLY A-182
ALA A-160
 None
 1.07A 6hwdH-3n94A:
undetectable
6hwdI-3n94A:
undetectable		 6hwdH-3n94A:
10.58
6hwdI-3n94A:
13.20
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.
3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2

(Escherichia
coli;
Arachis
duranensis) 		PF00234
(Tryp_alpha_amyl)
PF13416
(SBP_bac_8) 		5 GLN A 365
ALA A 364
ALA A 162
GLY A 166
ALA A 188
 None
 0.95A 6hwdH-3ob4A:
undetectable
6hwdI-3ob4A:
undetectable		 6hwdH-3ob4A:
10.30
6hwdI-3ob4A:
10.26
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		5 ALA A 253
ALA A 140
GLY A 141
THR A 142
ALA A 143
 None
None
None
NAD  A1385 (-3.7A)
None
 0.94A 6hwdH-3ox4A:
undetectable
6hwdI-3ox4A:
undetectable		 6hwdH-3ox4A:
12.01
6hwdI-3ox4A:
12.70
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.
3qhf HUMAN MONOCLONAL
ANTIBODY DEL2D1,
FAB 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
 1.07A 6hwdH-3qhfH:
undetectable
6hwdI-3qhfH:
undetectable		 6hwdH-3qhfH:
15.42
6hwdI-3qhfH:
16.89
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.
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
 0.99A 6hwdH-3qo0B:
undetectable
6hwdI-3qo0B:
undetectable		 6hwdH-3qo0B:
17.95
6hwdI-3qo0B:
15.45
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.
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
 0.89A 6hwdH-3qpxH:
undetectable
6hwdI-3qpxH:
undetectable		 6hwdH-3qpxH:
18.88
6hwdI-3qpxH:
17.35
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.
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
 0.96A 6hwdH-3u1sH:
undetectable
6hwdI-3u1sH:
undetectable		 6hwdH-3u1sH:
15.31
6hwdI-3u1sH:
13.85
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) 		8 THR H   1
ALA H  27
CYH H  31
LYS H  33
ALA H  46
GLY H  47
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
None
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)
 0.53A 6hwdH-3unfH:
33.6
6hwdI-3unfH:
28.7		 6hwdH-3unfH:
37.01
6hwdI-3unfH:
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.
3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2

(Escherichia
coli;
Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 GLN A 365
ALA A 364
ALA A 162
GLY A 166
ALA A 188
 None
 0.97A 6hwdH-3vd8A:
undetectable
6hwdI-3vd8A:
undetectable		 6hwdH-3vd8A:
11.06
6hwdI-3vd8A:
11.84
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR L   1
ALA L  27
LYS L  33
ALA L  46
GLY L  47
ALA L  49
 None
 0.63A 6hwdH-3wxrL:
27.2
6hwdI-3wxrL:
25.4		 6hwdH-3wxrL:
21.43
6hwdI-3wxrL:
16.13
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.
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
 0.99A 6hwdH-3zyxA:
undetectable
6hwdI-3zyxA:
undetectable		 6hwdH-3zyxA:
14.38
6hwdI-3zyxA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF05076
(SUFU)
PF12470
(SUFU_C)
PF13416
(SBP_bac_8) 		5 GLN A 366
ALA A 365
ALA A 163
GLY A 167
ALA A 189
 None
 0.99A 6hwdH-4blaA:
undetectable
6hwdI-4blaA:
undetectable		 6hwdH-4blaA:
7.49
6hwdI-4blaA:
8.10
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.
4exk MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UNCHARACTERIZED
PROTEIN CHIMERA

(Escherichia
coli;
Salmonella
enterica) 		PF13416
(SBP_bac_8)
PF16583
(ZirS_C) 		5 GLN A 365
ALA A 364
ALA A 162
GLY A 166
ALA A 188
 None
 1.02A 6hwdH-4exkA:
undetectable
6hwdI-4exkA:
undetectable		 6hwdH-4exkA:
15.41
6hwdI-4exkA:
11.62
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.
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
 0.86A 6hwdH-4f33B:
undetectable
6hwdI-4f33B:
undetectable		 6hwdH-4f33B:
19.30
6hwdI-4f33B:
14.61
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.
4fk1 PUTATIVE THIOREDOXIN
REDUCTASE

(Bacillus
anthracis) 		PF07992
(Pyr_redox_2) 		5 GLN C 284
ALA C 288
ALA C  11
GLY C  12
ALA C 109
 None
None
None
FAD  C 500 (-3.2A)
None
 1.06A 6hwdH-4fk1C:
undetectable
6hwdI-4fk1C:
undetectable		 6hwdH-4fk1C:
12.59
6hwdI-4fk1C:
16.74
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.
4glr ANTI-PTAU HEAVY
CHAIN

(Gallus gallus) 		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 6hwdH-4glrH:
undetectable
6hwdI-4glrH:
undetectable		 6hwdH-4glrH:
18.41
6hwdI-4glrH:
17.62
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.
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
 1.04A 6hwdH-4hfuH:
undetectable
6hwdI-4hfuH:
undetectable		 6hwdH-4hfuH:
20.93
6hwdI-4hfuH:
17.29
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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
ALA A  28
LYS A  34
ALA A  47
GLY A  48
 None
 0.69A 6hwdH-4ho7A:
20.2
6hwdI-4ho7A:
19.8		 6hwdH-4ho7A:
19.19
6hwdI-4ho7A:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i4q BEL-BETA TREFOIL

(Boletus edulis) 		no annotation 5 SER A 120
ALA A  17
ALA A 125
GLY A 124
THR A 123
 None
 1.05A 6hwdH-4i4qA:
undetectable
6hwdI-4i4qA:
undetectable		 6hwdH-4i4qA:
21.28
6hwdI-4i4qA:
18.49
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.
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
 0.97A 6hwdH-4ocwH:
undetectable
6hwdI-4ocwH:
undetectable		 6hwdH-4ocwH:
15.95
6hwdI-4ocwH:
15.51
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.
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
 0.99A 6hwdH-4od1H:
undetectable
6hwdI-4od1H:
undetectable		 6hwdH-4od1H:
16.47
6hwdI-4od1H:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pe2 MALTOSE ABC
TRANSPORTER
PERIPLASMIC
PROTEIN,PREPILIN-TYP
E N-TERMINAL
CLEAVAGE/METHYLATION
DOMAIN PROTEIN

(Escherichia
coli;
Clostridioides
difficile) 		PF13416
(SBP_bac_8) 		5 GLN A 365
ALA A 364
ALA A 162
GLY A 166
ALA A 188
 None
 0.95A 6hwdH-4pe2A:
undetectable
6hwdI-4pe2A:
undetectable		 6hwdH-4pe2A:
9.05
6hwdI-4pe2A:
11.25
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.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		5 CYH A 151
GLY A 111
THR A 110
ALA A 109
ASP A  66
 None
 1.03A 6hwdH-4qnwA:
undetectable
6hwdI-4qnwA:
undetectable		 6hwdH-4qnwA:
12.21
6hwdI-4qnwA:
11.63
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.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  27
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.53A 6hwdH-4qv9K:
27.4
6hwdI-4qv9K:
25.6		 6hwdH-4qv9K:
21.43
6hwdI-4qv9K:
18.63
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.
4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA

(Escherichia
coli;
Mycobacterium
tuberculosis) 		PF01648
(ACPS)
PF13416
(SBP_bac_8) 		5 GLN A 366
ALA A 365
ALA A 163
GLY A 167
ALA A 189
 None
 0.98A 6hwdH-4qvhA:
undetectable
6hwdI-4qvhA:
undetectable		 6hwdH-4qvhA:
8.36
6hwdI-4qvhA:
9.34
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.
4xvs VRC07_1995
45-VRC01.H01+07.O-86
3513/45-VRC01.L01+07
.O-110653 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 200
GLY H 146
THR H 147
ALA H 148
THR H 143
 None
 0.99A 6hwdH-4xvsH:
undetectable
6hwdI-4xvsH:
undetectable		 6hwdH-4xvsH:
19.40
6hwdI-4xvsH:
16.75
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.
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
 0.87A 6hwdH-4ye4H:
undetectable
6hwdI-4ye4H:
undetectable		 6hwdH-4ye4H:
21.18
6hwdI-4ye4H:
16.51
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.
5cd3 DRVIA7 HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER G 187
GLY G 133
THR G 134
ALA G 135
THR G 130
 None
 0.96A 6hwdH-5cd3G:
undetectable
6hwdI-5cd3G:
undetectable		 6hwdH-5cd3G:
19.53
6hwdI-5cd3G:
16.82
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.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		5 GLN A 365
ALA A 364
ALA A 162
GLY A 166
ALA A 188
 None
 1.00A 6hwdH-5dfmA:
undetectable
6hwdI-5dfmA:
undetectable		 6hwdH-5dfmA:
10.69
6hwdI-5dfmA:
11.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ALA A 271
ALA A 306
GLY A 301
THR A 300
ALA A 303
 None
 1.02A 6hwdH-5dotA:
undetectable
6hwdI-5dotA:
undetectable		 6hwdH-5dotA:
4.34
6hwdI-5dotA:
4.56
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.
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
 0.97A 6hwdH-5f89H:
undetectable
6hwdI-5f89H:
undetectable		 6hwdH-5f89H:
19.31
6hwdI-5f89H:
15.35
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) 		10 THR H   1
SER H  20
ALA H  27
CYH H  31
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
THR H  52
 None
 0.46A 6hwdH-5fg9H:
36.5
6hwdI-5fg9H:
22.1		 6hwdH-5fg9H:
94.05
6hwdI-5fg9H:
19.05
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) 		10 THR H   1
SER H  20
GLN H  22
ALA H  27
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
THR H  52
 None
 0.73A 6hwdH-5fg9H:
36.5
6hwdI-5fg9H:
22.1		 6hwdH-5fg9H:
94.05
6hwdI-5fg9H:
19.05
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) 		6 THR I   1
ALA I  27
CYH I  31
ALA I  46
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 ( 3.8A)
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.71A 6hwdH-5fmgI:
28.7
6hwdI-5fmgI:
26.6		 6hwdH-5fmgI:
37.80
6hwdI-5fmgI:
15.28
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
BETA3 PROTEASOME
SUBUNIT, PUTATIVE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF00227
(Proteasome)
PF00227
(Proteasome) 		6 ALA I  27
LYS I  33
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.06A 6hwdH-5fmgI:
28.7
6hwdI-5fmgI:
26.6		 6hwdH-5fmgI:
37.80
6hwdI-5fmgI:
15.28
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
BETA3 PROTEASOME
SUBUNIT, PUTATIVE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF00227
(Proteasome)
PF00227
(Proteasome) 		6 THR I   1
ALA I  27
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 0.87A 6hwdH-5fmgI:
28.7
6hwdI-5fmgI:
26.6		 6hwdH-5fmgI:
37.80
6hwdI-5fmgI:
15.28
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.
5gpp MALTOSE-BINDING
PERIPLASMIC
PROTEIN,APOPTOSIS-AS
SOCIATED SPECK-LIKE
PROTEIN CONTAINING A
CARD

(Escherichia
coli;
Danio rerio) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 GLN A 366
ALA A 365
ALA A 163
GLY A 167
ALA A 189
 None
 0.89A 6hwdH-5gppA:
undetectable
6hwdI-5gppA:
undetectable		 6hwdH-5gppA:
10.53
6hwdI-5gppA:
11.69
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  27
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.70A 6hwdH-5l5wK:
27.5
6hwdI-5l5wK:
25.4		 6hwdH-5l5wK:
22.88
6hwdI-5l5wK:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.81A 6hwdH-5loyA:
4.6
6hwdI-5loyA:
20.9		 6hwdH-5loyA:
21.26
6hwdI-5loyA:
16.45
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.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		6 THR A   1
ALA A  28
LYS A  32
ALA A  49
GLY A  50
THR A  55
 None
 1.09A 6hwdH-5nyjA:
19.7
6hwdI-5nyjA:
20.9		 6hwdH-5nyjA:
15.52
6hwdI-5nyjA:
15.70
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.
5nyx HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 198
GLY H 144
THR H 145
ALA H 146
THR H 141
 None
 0.94A 6hwdH-5nyxH:
undetectable
6hwdI-5nyxH:
undetectable		 6hwdH-5nyxH:
19.32
6hwdI-5nyxH:
16.87
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.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
ALA R  27
LYS R  33
ALA R  46
GLY R  47
 None
 1.01A 6hwdH-5t0gR:
25.4
6hwdI-5t0gR:
24.2		 6hwdH-5t0gR:
18.97
6hwdI-5t0gR:
14.01
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.
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
 0.93A 6hwdH-5t0gR:
25.4
6hwdI-5t0gR:
24.2		 6hwdH-5t0gR:
18.97
6hwdI-5t0gR:
14.01
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
 0.95A 6hwdH-5t0hO:
28.8
6hwdI-5t0hO:
26.2		 6hwdH-5t0hO:
47.27
6hwdI-5t0hO:
17.47
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.
5trp DH272 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 197
GLY H 143
THR H 144
ALA H 145
THR H 140
 None
 1.04A 6hwdH-5trpH:
undetectable
6hwdI-5trpH:
undetectable		 6hwdH-5trpH:
17.26
6hwdI-5trpH:
15.25
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.
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
 1.04A 6hwdH-5uemH:
undetectable
6hwdI-5uemH:
undetectable		 6hwdH-5uemH:
18.60
6hwdI-5uemH:
17.44
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 THR R   1
ALA R  27
LYS R  33
GLY R  47
ALA R  49
 None
 0.71A 6hwdH-5vfrR:
25.8
6hwdI-5vfrR:
25.0		 6hwdH-5vfrR:
undetectable
6hwdI-5vfrR:
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.
5vwk PROTEIN SCRIBBLE
HOMOLOG

(Homo sapiens) 		no annotation 5 ALA A 772
ALA A 803
GLY A 804
THR A 805
ALA A 806
 None
 1.05A 6hwdH-5vwkA:
undetectable
6hwdI-5vwkA:
undetectable		 6hwdH-5vwkA:
20.77
6hwdI-5vwkA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w1k CR1-10 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER D 201
GLY D 147
THR D 148
ALA D 149
THR D 144
 None
 0.96A 6hwdH-5w1kD:
undetectable
6hwdI-5w1kD:
undetectable		 6hwdH-5w1kD:
18.60
6hwdI-5w1kD:
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.
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
 0.95A 6hwdH-5wccH:
undetectable
6hwdI-5wccH:
undetectable		 6hwdH-5wccH:
19.77
6hwdI-5wccH:
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.
5wl2 -

(-) 		no annotation 5 SER H 196
GLY H 142
THR H 143
ALA H 144
THR H 139
 None
 0.97A 6hwdH-5wl2H:
undetectable
6hwdI-5wl2H:
undetectable		 6hwdH-5wl2H:
undetectable
6hwdI-5wl2H:
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.
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
 0.92A 6hwdH-5wnaH:
undetectable
6hwdI-5wnaH:
undetectable		 6hwdH-5wnaH:
19.54
6hwdI-5wnaH:
23.71
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.
5wu3 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE

(Homo sapiens) 		PF03828
(PAP_assoc) 		5 SER A 583
GLN A 578
ALA A 157
ALA A 154
ASP A 588
 None
 1.07A 6hwdH-5wu3A:
undetectable
6hwdI-5wu3A:
undetectable		 6hwdH-5wu3A:
9.46
6hwdI-5wu3A:
8.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 6hwdH-5x5xH:
undetectable
6hwdI-5x5xH:
undetectable		 6hwdH-5x5xH:
17.53
6hwdI-5x5xH:
18.82
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 7 THR B   1
ALA B  27
CYH B  31
LYS B  33
ALA B  46
GLY B  47
ALA B  49
 None
 0.87A 6hwdH-6avoB:
22.1
6hwdI-6avoB:
18.8		 6hwdH-6avoB:
52.50
6hwdI-6avoB:
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.
6db6 HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 311-11D FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 1.05A 6hwdH-6db6H:
undetectable
6hwdI-6db6H:
undetectable		 6hwdH-6db6H:
25.00
6hwdI-6db6H:
18.29
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.
6db7 HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 1334 FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 GOL  H 301 (-4.2A)
GOL  H 303 (-3.2A)
None
None
None
 0.97A 6hwdH-6db7H:
undetectable
6hwdI-6db7H:
undetectable		 6hwdH-6db7H:
20.69
6hwdI-6db7H:
19.35
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.
6elj FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER A 199
GLY A 145
THR A 146
ALA A 147
THR A 142
 None
 0.91A 6hwdH-6eljA:
undetectable
6hwdI-6eljA:
undetectable		 6hwdH-6eljA:
17.50
6hwdI-6eljA:
15.56
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.
6gk7 HUMAN FAB ANTIBODY
FRAGMENT OF
CBTAU-27.1(S31Y,T100
I)

(Homo sapiens) 		no annotation 5 SER H 197
GLY H 143
THR H 144
ALA H 145
THR H 140
 None
 1.04A 6hwdH-6gk7H:
undetectable
6hwdI-6gk7H:
undetectable		 6hwdH-6gk7H:
20.21
6hwdI-6gk7H:
17.24