SIMILAR PATTERNS OF AMINO ACIDS FOR 3HS4_A_AZMA702_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.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		4 VAL A 149
LYS A 151
TRP A 125
PRO A 144
 None
 1.30A 3hs4A-1biyA:
undetectable		 3hs4A-1biyA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bmw POLLEN ALLERGEN PHL
P2

(Phleum pratense) 		PF01357
(Pollen_allerg_1) 		4 VAL A   8
TYR A  92
GLU A  84
PRO A  83
 None
 1.09A 3hs4A-1bmwA:
undetectable		 3hs4A-1bmwA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bvn PROTEIN
(TENDAMISTAT)

(Streptomyces
tendae) 		PF01356
(A_amylase_inhib) 		4 VAL T 836
TYR T 869
GLU T 806
PRO T 807
 None
 1.13A 3hs4A-1bvnT:
undetectable		 3hs4A-1bvnT:
14.85
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.
1j3p PHOSPHOGLUCOSE
ISOMERASE

(Thermococcus
litoralis) 		PF06560
(GPI) 		4 LYS A  87
TYR A  34
LYS A 167
GLU A 166
 None
 1.11A 3hs4A-1j3pA:
undetectable		 3hs4A-1j3pA:
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.
1j6r METHIONINE SYNTHASE

(Thermotoga
maritima) 		no annotation 4 VAL A 133
LYS A 132
TRP A  57
GLU A   7
 None
 1.22A 3hs4A-1j6rA:
undetectable		 3hs4A-1j6rA:
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.
1nu2 DISABLED HOMOLOG 1

(Mus musculus) 		PF00640
(PID) 		4 VAL A  40
TYR A  42
GLU A 148
PRO A 149
 None
 1.14A 3hs4A-1nu2A:
undetectable		 3hs4A-1nu2A:
22.31
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		4 VAL A 285
TYR A 264
LYS A 235
PRO A 364
 None
 1.11A 3hs4A-1oa1A:
undetectable		 3hs4A-1oa1A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rgy BETA-LACTAMASE

(Citrobacter
freundii) 		PF00144
(Beta-lactamase) 		4 VAL A 329
LYS A 332
TRP A 312
GLU A 358
 None
 1.14A 3hs4A-1rgyA:
undetectable		 3hs4A-1rgyA:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 VAL A 109
TYR A 114
TRP A 192
LYS A 213
PRO A 215
 None
 0.62A 3hs4A-1urtA:
36.6		 3hs4A-1urtA:
51.13
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 VAL A  71
TYR A   5
LYS A 275
GLU A 274
 None
 1.20A 3hs4A-1uwyA:
undetectable		 3hs4A-1uwyA:
19.36
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 VAL A 184
LYS A 181
TYR A 134
GLU A 119
 None
 1.28A 3hs4A-1vbgA:
undetectable		 3hs4A-1vbgA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vla HYDROPEROXIDE
RESISTANCE PROTEIN
OSMC

(Thermotoga
maritima) 		PF02566
(OsmC) 		4 VAL A 106
LYS A 103
TYR A 136
GLU A 133
 None
 1.19A 3hs4A-1vlaA:
undetectable		 3hs4A-1vlaA:
20.38
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.
1w52 PANCREATIC LIPASE
RELATED PROTEIN 2

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 VAL X 120
TYR X 116
GLU X 181
PRO X 182
 None
DDQ  X 502 (-4.5A)
None
None
 1.27A 3hs4A-1w52X:
undetectable		 3hs4A-1w52X:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7z INTERCELLULAR
ADHESION MOLECULE-1

(Homo sapiens) 		PF03921
(ICAM_N) 		4 VAL I 445
TRP I 382
GLU I 416
PRO I 413
 None
 1.29A 3hs4A-1z7zI:
undetectable		 3hs4A-1z7zI:
21.79
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.
1zh1 NON-STRUCTURAL
POLYPROTEIN

(Hepacivirus C) 		PF08300
(HCV_NS5a_1a)
PF08301
(HCV_NS5a_1b) 		4 VAL A 121
TYR A 106
GLU A 148
PRO A 147
 None
 1.12A 3hs4A-1zh1A:
undetectable		 3hs4A-1zh1A:
21.24
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 VAL A 176
LYS A 179
TYR A 117
GLU A 106
 None
 1.27A 3hs4A-2bihA:
undetectable		 3hs4A-2bihA:
21.02
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.
2g7i COMPLEMENT FACTOR H

(Homo sapiens) 		PF00084
(Sushi) 		4 VAL A1134
TYR A1136
GLU A1159
PRO A1160
 None
 1.26A 3hs4A-2g7iA:
undetectable		 3hs4A-2g7iA:
23.53
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.
2h6o MAJOR OUTER ENVELOPE
GLYCOPROTEIN GP350

(Human
gammaherpesvirus
4) 		PF05109
(Herpes_BLLF1) 		4 VAL A 393
TYR A 324
TRP A 352
LYS A 401
 None
None
None
FUC  A1364 ( 4.3A)
 1.20A 3hs4A-2h6oA:
undetectable		 3hs4A-2h6oA:
17.81
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.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		4 LYS A 342
TYR A 367
GLU A 374
PRO A 429
 None
 1.18A 3hs4A-2hi4A:
undetectable		 3hs4A-2hi4A:
19.80
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.
2hle EPHRIN-B2

(Homo sapiens) 		PF00812
(Ephrin) 		4 VAL B 167
LYS B 133
TYR B 135
GLU B 128
 None
 1.22A 3hs4A-2hleB:
undetectable		 3hs4A-2hleB:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijx DNA POLYMERASE
SLIDING CLAMP A

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 VAL A  61
TYR A  59
LYS A  28
GLU A  35
 None
 1.25A 3hs4A-2ijxA:
undetectable		 3hs4A-2ijxA:
24.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 VAL A 109
TYR A 114
TRP A 192
LYS A 213
GLU A 214
 None
 0.55A 3hs4A-2it4A:
41.1		 3hs4A-2it4A:
60.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixo SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 1

(Saccharomyces
cerevisiae) 		PF03095
(PTPA) 		4 VAL A 258
LYS A 259
GLU A 194
PRO A 195
 None
 1.16A 3hs4A-2ixoA:
undetectable		 3hs4A-2ixoA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l48 N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Bacillus phage
Gamma) 		PF12123
(Amidase02_C) 		4 VAL A 232
TYR A 230
LYS A 217
GLU A 221
 None
 1.01A 3hs4A-2l48A:
undetectable		 3hs4A-2l48A:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2leq UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF08327
(AHSA1) 		4 VAL A  20
LYS A  19
LYS A 137
GLU A 141
 None
 0.93A 3hs4A-2leqA:
undetectable		 3hs4A-2leqA:
20.91
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.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		5 VAL A 323
LYS A 322
TYR A 347
GLU A 354
PRO A 409
 None
 1.17A 3hs4A-2nnjA:
undetectable		 3hs4A-2nnjA:
19.91
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.
2nrk HYPOTHETICAL PROTEIN
GRPB

(Enterococcus
faecalis) 		PF04229
(GrpB) 		4 LYS A 135
TYR A 131
LYS A 158
GLU A 161
 None
 1.28A 3hs4A-2nrkA:
undetectable		 3hs4A-2nrkA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		4 VAL A 327
LYS A 326
TYR A 351
PRO A 413
 None
 1.29A 3hs4A-2pg6A:
undetectable		 3hs4A-2pg6A:
18.72
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.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		4 VAL A 327
TYR A 351
GLU A 358
PRO A 413
 None
 1.15A 3hs4A-2pg6A:
undetectable		 3hs4A-2pg6A:
18.72
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.
2rad SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		4 VAL A  98
LYS A  99
TRP A 304
GLU A 145
 None
 1.23A 3hs4A-2radA:
undetectable		 3hs4A-2radA:
20.53
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.
2rad SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		4 VAL A 209
TYR A 227
LYS A 204
GLU A 201
 None
 1.29A 3hs4A-2radA:
undetectable		 3hs4A-2radA:
20.53
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 VAL A 462
LYS A 459
TYR A 453
GLU A 445
 None
 1.24A 3hs4A-2va8A:
undetectable		 3hs4A-2va8A:
18.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 VAL A 131
LYS A 134
TRP A 216
PRO A 239
 None
 0.98A 3hs4A-2w2jA:
37.4		 3hs4A-2w2jA:
39.19
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.
2wd5 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
1A
STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
3

(Mus musculus) 		PF06470
(SMC_hinge) 		4 VAL B 551
TYR B 668
GLU A 568
PRO A 567
 None
 1.24A 3hs4A-2wd5B:
undetectable		 3hs4A-2wd5B:
19.93
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.
2z0f PUTATIVE
PHOSPHOGLUCOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 VAL A  45
TYR A  10
GLU A  76
PRO A  77
 None
 1.08A 3hs4A-2z0fA:
undetectable		 3hs4A-2z0fA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3crw XPD/RAD3 RELATED DNA
HELICASE

(Sulfolobus
acidocaldarius) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		4 VAL 1 298
LYS 1 300
TYR 1 234
GLU 1 232
 None
 1.12A 3hs4A-3crw1:
undetectable		 3hs4A-3crw1:
18.94
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		4 VAL A 159
TYR A 207
LYS A  82
PRO A  81
 None
 1.06A 3hs4A-3cuxA:
undetectable		 3hs4A-3cuxA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 VAL A 110
TYR A 115
TRP A 193
PRO A 216
 None
 0.36A 3hs4A-3da2A:
42.5		 3hs4A-3da2A:
60.15
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.
3dcz PUTATIVE RNFG
SUBUNIT OF ELECTRON
TRANSPORT COMPLEX

(Thermotoga
maritima) 		PF04205
(FMN_bind) 		4 VAL A  86
LYS A  79
TYR A  81
GLU A 220
 None
 1.11A 3hs4A-3dczA:
undetectable		 3hs4A-3dczA:
23.30
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		4 LYS A 324
TYR A 349
GLU A 356
PRO A 411
 None
 1.10A 3hs4A-3e4eA:
undetectable		 3hs4A-3e4eA:
18.80
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.
3ft9 PHL P 3 ALLERGEN

(Phleum pratense) 		PF01357
(Pollen_allerg_1) 		4 VAL A   8
LYS A  91
TYR A  93
PRO A  84
 None
 0.95A 3hs4A-3ft9A:
undetectable		 3hs4A-3ft9A:
17.31
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.
3geu INTERCELLULAR
ADHESION PROTEIN R

(Staphylococcus
aureus) 		PF00440
(TetR_N) 		4 LYS A  44
TYR A  18
GLU A 104
PRO A 103
 FMT  A 188 (-2.6A)
None
None
None
 0.98A 3hs4A-3geuA:
undetectable		 3hs4A-3geuA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kb5 TRIPARTITE
MOTIF-CONTAINING
PROTEIN 72

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		4 VAL A 375
LYS A 398
GLU A 399
PRO A 400
 None
 1.27A 3hs4A-3kb5A:
undetectable		 3hs4A-3kb5A:
20.85
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.
3l1w UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF03372
(Exo_endo_phos) 		4 VAL A  27
TYR A   6
TRP A  20
GLU A  43
 None
 1.09A 3hs4A-3l1wA:
undetectable		 3hs4A-3l1wA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mtv PAPAIN-LIKE CYSTEINE
PROTEASE

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05411
(Peptidase_C32) 		4 VAL A  14
TYR A   4
GLU A  37
PRO A  35
 None
 0.97A 3hs4A-3mtvA:
undetectable		 3hs4A-3mtvA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nnk UREIDOGLYCINE-GLYOXY
LATE
AMINOTRANSFERASE

(Klebsiella
pneumoniae) 		PF00266
(Aminotran_5) 		4 VAL A  51
TYR A  55
TRP A 258
PRO A 210
 None
 1.15A 3hs4A-3nnkA:
undetectable		 3hs4A-3nnkA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nps S4 FAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL C 150
TYR C 192
LYS C 188
GLU C 187
 None
 1.07A 3hs4A-3npsC:
undetectable		 3hs4A-3npsC:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 VAL A 197
TYR A 179
LYS A 174
PRO A 171
 None
 1.10A 3hs4A-3pigA:
undetectable		 3hs4A-3pigA:
19.28
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.
3sw0 COMPLEMENT FACTOR H

(Homo sapiens) 		PF00084
(Sushi) 		4 VAL X1134
TYR X1136
GLU X1159
PRO X1160
 None
 1.26A 3hs4A-3sw0X:
undetectable		 3hs4A-3sw0X:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		4 VAL A 324
TYR A 348
GLU A 355
PRO A 410
 None
 1.06A 3hs4A-3tk3A:
undetectable		 3hs4A-3tk3A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1x PUTATIVE GLYCOSYL
HYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		4 VAL A 189
TYR A 121
TRP A 107
GLU A 138
 None
None
None
PGE  A 260 (-3.2A)
 1.28A 3hs4A-3u1xA:
undetectable		 3hs4A-3u1xA:
21.38
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.
3uor ABC TRANSPORTER
SUGAR BINDING
PROTEIN

(Xanthomonas
citri) 		PF13416
(SBP_bac_8) 		4 VAL A 114
TYR A 119
TRP A 316
PRO A 137
 None
 1.24A 3hs4A-3uorA:
undetectable		 3hs4A-3uorA:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 VAL A 109
TYR A 114
TRP A 191
LYS A 212
GLU A 213
PRO A 214
 None
 0.40A 3hs4A-3uyqA:
41.3		 3hs4A-3uyqA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 VAL A 112
TYR A 114
GLU A 213
PRO A 214
 None
 1.24A 3hs4A-3uyqA:
41.3		 3hs4A-3uyqA:
58.85
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.
3v7o MINOR NUCLEOPROTEIN
VP30

(Reston
ebolavirus) 		PF11507
(Transcript_VP30) 		4 VAL A  69
TYR A  70
TRP A  89
GLU A  56
 None
 1.24A 3hs4A-3v7oA:
undetectable		 3hs4A-3v7oA:
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.
3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Pseudomonas sp.
VM15C) 		no annotation 4 VAL A 155
LYS A 158
TYR A 159
PRO A  49
 None
 1.25A 3hs4A-3wweA:
undetectable		 3hs4A-3wweA:
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.
3zjx EPSILON-TOXIN

(Clostridium
perfringens) 		PF03318
(ETX_MTX2) 		4 VAL A 192
TYR A 244
GLU A  74
PRO A  75
 None
 1.30A 3hs4A-3zjxA:
undetectable		 3hs4A-3zjxA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2g GH3-1 AUXIN
CONJUGATING ENZYME

(Vitis vinifera) 		PF03321
(GH3) 		4 VAL A 567
TYR A 489
LYS A 571
GLU A 574
 None
 1.29A 3hs4A-4b2gA:
undetectable		 3hs4A-4b2gA:
18.91
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.
4c1n CARBON MONOXIDE
DEHYDROGENASE
CORRINOID/IRON-SULFU
R PROTEIN, GAMMA
SUBUNIT

(Carboxydothermus
hydrogenoformans) 		PF03599
(CdhD)
PF04060
(FeS) 		4 VAL A 201
TYR A 225
LYS A 198
GLU A 194
 None
 1.29A 3hs4A-4c1nA:
undetectable		 3hs4A-4c1nA:
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.
4gow CALMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 VAL D 142
TYR D 138
LYS D  81
GLU D  83
 VAL  D 142 ( 0.6A)
TYR  D 138 ( 1.3A)
SER  D  81 ( 0.0A)
GLU  D  83 ( 0.5A)
 1.20A 3hs4A-4gowD:
undetectable		 3hs4A-4gowD:
23.62
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.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		4 LYS A 342
TYR A 367
GLU A 374
PRO A 429
 None
 1.25A 3hs4A-4i8vA:
undetectable		 3hs4A-4i8vA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ife GENE 2 PROTEIN

(Shigella virus
Sf6) 		PF04466
(Terminase_3)
PF17288
(Terminase_3C) 		4 VAL A 160
TYR A 156
GLU A 206
PRO A 207
 None
 1.07A 3hs4A-4ifeA:
undetectable		 3hs4A-4ifeA:
19.72
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.
4j7h EVAA 2,3-DEHYDRATASE

(Amycolatopsis
orientalis) 		PF03559
(Hexose_dehydrat) 		4 VAL A 211
TYR A 173
TRP A 219
GLU A 206
 None
 1.23A 3hs4A-4j7hA:
undetectable		 3hs4A-4j7hA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0g PROTEIN PHOSPHATASE
2C 37

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		4 VAL A 228
LYS A 233
GLU A 232
PRO A 231
 None
 1.17A 3hs4A-4n0gA:
undetectable		 3hs4A-4n0gA:
17.72
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.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		4 LYS A 330
TYR A 355
GLU A 362
PRO A 416
 None
 1.21A 3hs4A-4ny4A:
undetectable		 3hs4A-4ny4A:
20.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		7 VAL A 109
LYS A 112
TYR A 114
TRP A 192
LYS A 213
GLU A 214
PRO A 215
 None
 0.52A 3hs4A-4qk3A:
45.0		 3hs4A-4qk3A:
95.77
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.
4r40 PROTEIN TOLB

(Yersinia pestis) 		PF04052
(TolB_N)
PF07676
(PD40) 		4 VAL A 170
LYS A 422
GLU A 200
PRO A 201
 None
 1.09A 3hs4A-4r40A:
undetectable		 3hs4A-4r40A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvr E3 UBIQUITIN-PROTEIN
LIGASE UHRF2

(Homo sapiens) 		PF00628
(PHD)
PF12148
(TTD) 		4 TYR A 127
TRP A 143
GLU A 309
PRO A 231
 None
 0.99A 3hs4A-4tvrA:
undetectable		 3hs4A-4tvrA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)

([Eubacterium]
rectale) 		PF13416
(SBP_bac_8) 		4 VAL A 281
LYS A 273
TYR A 269
PRO A 358
 None
 1.28A 3hs4A-4uacA:
undetectable		 3hs4A-4uacA:
22.06
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.
4uuy VACUOLAR MEMBRANE
PROTEIN PEP3

(Saccharomyces
cerevisiae) 		PF05131
(Pep3_Vps18) 		4 VAL A  75
LYS A  89
TRP A 109
GLU A 129
 None
None
SO4  A1003 (-4.2A)
None
 0.96A 3hs4A-4uuyA:
undetectable		 3hs4A-4uuyA:
22.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		4 VAL A  98
LYS A 101
TYR A 103
PRO A 190
 None
 0.64A 3hs4A-4x5sA:
30.2		 3hs4A-4x5sA:
38.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		4 TYR A  41
LYS A  34
GLU A  33
PRO A  32
 None
 1.19A 3hs4A-4yt2A:
undetectable		 3hs4A-4yt2A:
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.
5da8 60 KDA CHAPERONIN

(Chlorobaculum
tepidum) 		PF00118
(Cpn60_TCP1) 		4 VAL A 470
LYS A 469
TYR A 486
GLU A 484
 None
 1.29A 3hs4A-5da8A:
undetectable		 3hs4A-5da8A:
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.
5ddv 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01128
(IspD) 		4 LYS A  92
TYR A  88
LYS A 171
GLU A 175
 None
 1.25A 3hs4A-5ddvA:
undetectable		 3hs4A-5ddvA:
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 VAL A 225
LYS A 240
TYR A  38
TRP A 294
GLU A  35
 None
 1.36A 3hs4A-5df0A:
undetectable		 3hs4A-5df0A:
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.
5du3 PLASMA PROTEASE C1
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		4 VAL A 125
TRP A 460
LYS A 465
GLU A 117
 None
 1.29A 3hs4A-5du3A:
undetectable		 3hs4A-5du3A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzs SHIKIMATE
DEHYDROGENASE
(NADP(+))

(Clostridioides
difficile) 		PF08501
(Shikimate_dh_N) 		4 VAL A 120
LYS A 144
TYR A 146
LYS A 174
 None
 1.14A 3hs4A-5dzsA:
undetectable		 3hs4A-5dzsA:
24.04
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.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		4 VAL A 324
TYR A 348
GLU A 355
PRO A 410
 None
 1.21A 3hs4A-5e0eA:
undetectable		 3hs4A-5e0eA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		4 LYS A 289
TYR A 313
GLU A 320
PRO A 376
 None
 1.30A 3hs4A-5e78A:
undetectable		 3hs4A-5e78A:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		4 VAL X 108
TYR X 113
TRP X 190
PRO X 213
 ALY  X 111 ( 4.6A)
ALY  X 111 ( 3.6A)
ALY  X 211 ( 3.8A)
ALY  X 147 ( 3.8A)
 0.31A 3hs4A-5eztX:
44.6		 3hs4A-5eztX:
80.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv5 KPFLO11A1

(Komagataella
phaffii) 		PF10182
(Flo11) 		4 VAL A 140
TYR A 161
GLU A  73
PRO A  47
 ACT  A1193 (-4.9A)
None
None
None
 1.12A 3hs4A-5fv5A:
undetectable		 3hs4A-5fv5A:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		4 LYS A 108
TYR A 110
GLU A 197
PRO A 198
 None
 0.64A 3hs4A-5hpjA:
29.8		 3hs4A-5hpjA:
35.45
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.
5hra ASPARTATE/GLUTAMATE
RACEMASE

(Escherichia
coli) 		PF01177
(Asp_Glu_race) 		4 VAL A  89
LYS A  88
LYS A  59
GLU A  56
 None
 1.25A 3hs4A-5hraA:
undetectable		 3hs4A-5hraA:
21.30
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.
5ij6 LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		4 VAL A 154
TYR A  76
GLU A  38
PRO A  39
 None
 1.17A 3hs4A-5ij6A:
undetectable		 3hs4A-5ij6A:
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		4 VAL A 686
TYR A 757
GLU A 700
PRO A 699
 None
 1.12A 3hs4A-5mqmA:
undetectable		 3hs4A-5mqmA:
14.10
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.
5mv0 L PROTEIN

(California
reptarenavirus) 		PF17296
(ArenaCapSnatch) 		4 LYS A 172
TYR A  33
LYS A   0
PRO A  32
 None
 1.24A 3hs4A-5mv0A:
undetectable		 3hs4A-5mv0A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n0l GTP-SENSING
TRANSCRIPTIONAL
PLEIOTROPIC
REPRESSOR CODY

(Clostridioides
difficile) 		no annotation 4 VAL A  82
LYS A  84
GLU A 103
PRO A 102
 None
 1.07A 3hs4A-5n0lA:
undetectable		 3hs4A-5n0lA:
15.02
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.
5ofk GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		4 VAL A 124
TYR A 120
GLU A  52
PRO A  51
 None
None
XYP  A 408 ( 4.9A)
None
 1.29A 3hs4A-5ofkA:
undetectable		 3hs4A-5ofkA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oqr CONDENSIN COMPLEX
SUBUNIT 3

(Schizosaccharomyces
pombe) 		no annotation 4 VAL A 703
LYS A 701
GLU A 649
PRO A 650
 None
 1.20A 3hs4A-5oqrA:
undetectable		 3hs4A-5oqrA:
15.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		4 VAL A 461
LYS A 469
TYR A 471
PRO A 120
 None
 1.26A 3hs4A-5u2nA:
undetectable		 3hs4A-5u2nA:
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.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 4 VAL A 324
TYR A 348
GLU A 355
PRO A 410
 None
 1.12A 3hs4A-5wbgA:
undetectable		 3hs4A-5wbgA:
15.35
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.
5x55 PROBABLE URACIL-DNA
GLYCOSYLASE

(Acanthamoeba
polyphaga
mimivirus) 		PF03167
(UDG) 		4 VAL A 217
TYR A 225
LYS A 239
PRO A 238
 None
 0.96A 3hs4A-5x55A:
undetectable		 3hs4A-5x55A:
22.28
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.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 4 LYS A 322
TYR A 347
GLU A 354
PRO A 409
 None
 1.21A 3hs4A-5xxiA:
undetectable		 3hs4A-5xxiA:
18.22
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.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 4 VAL A 323
TYR A 347
GLU A 354
PRO A 409
 None
 1.11A 3hs4A-5xxiA:
undetectable		 3hs4A-5xxiA:
18.22
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.
6acd -

(-) 		no annotation 4 VAL A 420
LYS A 365
TYR A 367
PRO A 399
 None
 1.23A 3hs4A-6acdA:
undetectable		 3hs4A-6acdA:
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.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 4 LYS A 318
TYR A 343
GLU A 350
PRO A 404
 None
 1.29A 3hs4A-6ay4A:
undetectable		 3hs4A-6ay4A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9m E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Danio rerio) 		no annotation 4 TYR A 137
TRP A 153
GLU A 275
PRO A 198
 None
 0.99A 3hs4A-6b9mA:
undetectable		 3hs4A-6b9mA:
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.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 4 VAL I 506
TYR I 496
LYS I 490
GLU I 494
 None
 1.30A 3hs4A-6bnpI:
undetectable		 3hs4A-6bnpI:
16.22
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.
6fai SERINE/THREONINE-PRO
TEIN KINASE RIO2

(Saccharomyces
cerevisiae) 		no annotation 4 TYR l 210
LYS l 281
GLU l 287
PRO l 288
 None
 1.25A 3hs4A-6fail:
undetectable		 3hs4A-6fail:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 4 VAL A 850
TYR A 852
GLU A 823
PRO A 824
 None
 0.94A 3hs4A-6gh2A:
undetectable		 3hs4A-6gh2A:
16.93