SIMILAR PATTERNS OF AMINO ACIDS FOR 2R2V_C_ACTC36_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.
1dn0 IGM-KAPPA COLD
AGGLUTININ (HEAVY
CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA B 186
ALA B 150
ALA B 187
SER B 178
TYR B 185
 None
 1.30A 2r2vC-1dn0B:
undetectable
2r2vF-1dn0B:
0.0
2r2vG-1dn0B:
undetectable		 2r2vC-1dn0B:
9.17
2r2vF-1dn0B:
9.17
2r2vG-1dn0B:
9.17
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.
1dub 2-ENOYL-COA
HYDRATASE

(Rattus
norvegicus) 		PF00378
(ECH_1) 		5 ALA A 285
ASN A 286
GLU A 281
ALA A 278
SER A 277
 None
 1.38A 2r2vC-1dubA:
0.0
2r2vF-1dubA:
0.0
2r2vG-1dubA:
0.0		 2r2vC-1dubA:
17.53
2r2vF-1dubA:
17.53
2r2vG-1dubA:
17.53
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.
1f99 R-PHYCOCYANIN
R-PHYCOCYANIN

(Polysiphonia
urceolata;
Polysiphonia
urceolata) 		PF00502
(Phycobilisome)
PF00502
(Phycobilisome) 		5 TYR B  95
ALA A  10
ALA A  12
GLU A  23
ALA A  11
 None
 1.34A 2r2vC-1f99B:
0.8
2r2vF-1f99B:
0.7
2r2vG-1f99B:
0.0		 2r2vC-1f99B:
12.65
2r2vF-1f99B:
12.65
2r2vG-1f99B:
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.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF13374
(TPR_10)
PF13432
(TPR_16) 		5 SER A 521
TYR A 508
ALA A 511
ASN A 489
ALA A 507
 None
 1.43A 2r2vC-1fchA:
0.0
2r2vF-1fchA:
0.0
2r2vG-1fchA:
undetectable		 2r2vC-1fchA:
7.42
2r2vF-1fchA:
7.42
2r2vG-1fchA:
7.42
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.
1gpz COMPLEMENT C1R
COMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 TYR A 529
HIS A 526
ALA A 484
ALA A 542
TYR A 676
 None
 1.39A 2r2vC-1gpzA:
undetectable
2r2vF-1gpzA:
undetectable
2r2vG-1gpzA:
0.0		 2r2vC-1gpzA:
6.77
2r2vF-1gpzA:
6.77
2r2vG-1gpzA:
6.77
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.
1hg0 L-ASPARAGINASE

(Dickeya
chrysanthemi) 		PF00710
(Asparaginase) 		5 HIS A  93
ASN A  59
ALA A  31
ALA A  61
SER A  62
 None
None
SIN  A 350 ( 4.0A)
SIN  A 350 (-3.8A)
SIN  A 350 (-2.4A)
 1.33A 2r2vC-1hg0A:
0.0
2r2vF-1hg0A:
undetectable
2r2vG-1hg0A:
0.0		 2r2vC-1hg0A:
9.09
2r2vF-1hg0A:
9.09
2r2vG-1hg0A:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1igw ISOCITRATE LYASE

(Escherichia
coli) 		PF00463
(ICL) 		5 TYR A 279
ALA A 280
ALA A 231
ALA A 283
TYR A 282
 None
 1.32A 2r2vC-1igwA:
0.0
2r2vF-1igwA:
0.0
2r2vG-1igwA:
0.0		 2r2vC-1igwA:
6.95
2r2vF-1igwA:
6.95
2r2vG-1igwA:
6.95
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 HIS A 357
ALA A  88
ASN A  78
ALA A  87
SER A  86
 ZN  A 478 (-3.1A)
None
None
None
ZN  A 478 (-1.7A)
 1.36A 2r2vC-1k7hA:
0.0
2r2vF-1k7hA:
0.0
2r2vG-1k7hA:
0.0		 2r2vC-1k7hA:
6.78
2r2vF-1k7hA:
6.78
2r2vG-1k7hA:
6.78
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.
1p22 F-BOX/WD-REPEAT
PROTEIN 1A

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		5 HIS A 429
ALA A 434
ASN A 394
ALA A 406
SER A 445
 None
 1.42A 2r2vC-1p22A:
undetectable
2r2vF-1p22A:
undetectable
2r2vG-1p22A:
undetectable		 2r2vC-1p22A:
6.26
2r2vF-1p22A:
6.26
2r2vG-1p22A:
6.26
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 TYR A 523
HIS A 520
ALA A 482
ALA A 534
TYR A 675
 None
 1.39A 2r2vC-1q3xA:
undetectable
2r2vF-1q3xA:
undetectable
2r2vG-1q3xA:
undetectable		 2r2vC-1q3xA:
11.07
2r2vF-1q3xA:
11.07
2r2vG-1q3xA:
11.07
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 TYR A 135
ALA A 140
ALA A 139
SER A 138
TYR A 129
 None
 1.43A 2r2vC-1thgA:
undetectable
2r2vF-1thgA:
undetectable
2r2vG-1thgA:
undetectable		 2r2vC-1thgA:
6.21
2r2vF-1thgA:
6.21
2r2vG-1thgA:
6.21
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.
1txg GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Archaeoglobus
fulgidus) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 HIS A  47
ALA A 141
ALA A 145
ALA A  14
SER A  13
 None
 1.11A 2r2vC-1txgA:
undetectable
2r2vF-1txgA:
undetectable
2r2vG-1txgA:
undetectable		 2r2vC-1txgA:
8.51
2r2vF-1txgA:
8.51
2r2vG-1txgA:
8.51
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.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 TYR X  92
ALA X  93
ALA X 286
GLU X  99
ALA X  96
 NAD  X 900 (-4.4A)
None
None
None
None
 1.32A 2r2vC-1u8xX:
undetectable
2r2vF-1u8xX:
undetectable
2r2vG-1u8xX:
undetectable		 2r2vC-1u8xX:
5.96
2r2vF-1u8xX:
5.96
2r2vG-1u8xX:
5.96
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.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 TYR A 523
HIS A 520
ALA A 482
ALA A 534
TYR A 675
 None
 1.40A 2r2vC-1zjkA:
undetectable
2r2vF-1zjkA:
undetectable
2r2vG-1zjkA:
undetectable		 2r2vC-1zjkA:
11.07
2r2vF-1zjkA:
11.07
2r2vG-1zjkA:
11.07
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.
1zvu TOPOISOMERASE IV
SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV)
PF03989
(DNA_gyraseA_C) 		5 ALA A 680
ASN A 627
ALA A 628
ALA A 679
SER A 676
 None
 1.16A 2r2vC-1zvuA:
2.2
2r2vF-1zvuA:
2.1
2r2vG-1zvuA:
2.1		 2r2vC-1zvuA:
4.17
2r2vF-1zvuA:
4.17
2r2vG-1zvuA:
4.17
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.
2b42 XYLANASE INHIBITOR-I

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 SER A 146
ALA A 144
ALA A 205
SER A 203
TYR A  61
 None
 1.46A 2r2vC-2b42A:
undetectable
2r2vF-2b42A:
undetectable
2r2vG-2b42A:
undetectable		 2r2vC-2b42A:
6.20
2r2vF-2b42A:
6.20
2r2vG-2b42A:
6.20
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.
2bg5 PHOSPHOENOLPYRUVATE-
PROTEIN KINASE

(Caldanaerobacter
subterraneus) 		PF02896
(PEP-utilizers_C) 		5 SER A 283
ALA A 527
ASN A 287
ALA A 289
ALA A 273
 None
 1.00A 2r2vC-2bg5A:
undetectable
2r2vF-2bg5A:
undetectable
2r2vG-2bg5A:
undetectable		 2r2vC-2bg5A:
9.00
2r2vF-2bg5A:
9.00
2r2vG-2bg5A:
9.00
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.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16) 		5 SER A 558
TYR A 545
ALA A 548
ASN A 526
ALA A 544
 None
 1.45A 2r2vC-2c0lA:
undetectable
2r2vF-2c0lA:
undetectable
2r2vG-2c0lA:
undetectable		 2r2vC-2c0lA:
8.76
2r2vF-2c0lA:
8.76
2r2vG-2c0lA:
8.76
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.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 395
HIS A 392
ALA A  98
ALA A  97
SER A  94
 None
 1.03A 2r2vC-2c3dA:
undetectable
2r2vF-2c3dA:
undetectable
2r2vG-2c3dA:
undetectable		 2r2vC-2c3dA:
4.88
2r2vF-2c3dA:
4.88
2r2vG-2c3dA:
4.88
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.
2c63 14-3-3 PROTEIN ETA

(Homo sapiens) 		PF00244
(14-3-3) 		5 TYR A 131
ALA A 153
ALA A 149
ALA A 152
TYR A 154
 None
 1.08A 2r2vC-2c63A:
undetectable
2r2vF-2c63A:
undetectable
2r2vG-2c63A:
undetectable		 2r2vC-2c63A:
12.79
2r2vF-2c63A:
12.79
2r2vG-2c63A:
12.79
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.
2c7l PHYCOERYTHROCYANIN
ALPHA CHAIN
PHYCOERYTHROCYANIN
BETA CHAIN

(Mastigocladus
laminosus;
Mastigocladus
laminosus) 		PF00502
(Phycobilisome)
PF00502
(Phycobilisome) 		5 TYR B  95
ALA A  10
ALA A  12
GLU A  23
ALA A  11
 None
 1.29A 2r2vC-2c7lB:
undetectable
2r2vF-2c7lB:
undetectable
2r2vG-2c7lB:
undetectable		 2r2vC-2c7lB:
16.67
2r2vF-2c7lB:
16.67
2r2vG-2c7lB:
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		5 ALA A  70
ALA A  27
GLU A  76
ALA A  73
TYR A  71
 None
 1.42A 2r2vC-2cuyA:
undetectable
2r2vF-2cuyA:
undetectable
2r2vG-2cuyA:
undetectable		 2r2vC-2cuyA:
8.55
2r2vF-2cuyA:
8.55
2r2vG-2cuyA:
8.55
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.
2g4o 3-ISOPROPYLMALATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		5 HIS A 301
ALA A 303
ALA A 305
ALA A 304
SER A 296
 None
 0.98A 2r2vC-2g4oA:
undetectable
2r2vF-2g4oA:
undetectable
2r2vG-2g4oA:
undetectable		 2r2vC-2g4oA:
8.13
2r2vF-2g4oA:
8.13
2r2vG-2g4oA:
8.13
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.
2g8y MALATE/L-LACTATE
DEHYDROGENASES

(Escherichia
coli) 		PF02615
(Ldh_2) 		5 SER A 118
HIS A 116
ALA A  93
ALA A  97
ALA A  71
 None
 1.40A 2r2vC-2g8yA:
undetectable
2r2vF-2g8yA:
undetectable
2r2vG-2g8yA:
undetectable		 2r2vC-2g8yA:
7.31
2r2vF-2g8yA:
7.31
2r2vG-2g8yA:
7.31
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.
2h32 IMMUNOGLOBULIN HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H 185
ALA H 149
ALA H 186
SER H 177
TYR H 184
 None
 1.32A 2r2vC-2h32H:
undetectable
2r2vF-2h32H:
undetectable
2r2vG-2h32H:
undetectable		 2r2vC-2h32H:
10.09
2r2vF-2h32H:
10.09
2r2vG-2h32H:
10.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ifu GAMMA-SNAP

(Danio rerio) 		PF14938
(SNAP) 		5 TYR A  37
HIS A  11
ALA A  38
ALA A  56
ALA A  41
 None
SO4  A 306 (-4.8A)
None
None
None
 1.44A 2r2vC-2ifuA:
undetectable
2r2vF-2ifuA:
undetectable
2r2vG-2ifuA:
undetectable		 2r2vC-2ifuA:
8.87
2r2vF-2ifuA:
8.87
2r2vG-2ifuA:
8.87
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.
2olg PRO-PHENOLOXIDASE
ACTIVATING ENZYME-I

(Holotrichia
diomphalia) 		PF00089
(Trypsin) 		5 TYR A 210
HIS A 207
ALA A 154
ALA A 222
TYR A 355
 None
 1.41A 2r2vC-2olgA:
undetectable
2r2vF-2olgA:
undetectable
2r2vG-2olgA:
undetectable		 2r2vC-2olgA:
11.86
2r2vF-2olgA:
11.86
2r2vG-2olgA:
11.86
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.
2p90 HYPOTHETICAL PROTEIN
CGL1923

(Corynebacterium
glutamicum) 		PF09754
(PAC2) 		5 SER A 206
TYR A 210
HIS A  40
ALA A 213
ALA A  41
 None
 1.42A 2r2vC-2p90A:
undetectable
2r2vF-2p90A:
undetectable
2r2vG-2p90A:
undetectable		 2r2vC-2p90A:
7.52
2r2vF-2p90A:
7.52
2r2vG-2p90A:
7.52
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.
2p90 HYPOTHETICAL PROTEIN
CGL1923

(Corynebacterium
glutamicum) 		PF09754
(PAC2) 		5 SER A 206
TYR A 210
HIS A  40
ALA A 213
ALA A 140
 None
 1.38A 2r2vC-2p90A:
undetectable
2r2vF-2p90A:
undetectable
2r2vG-2p90A:
undetectable		 2r2vC-2p90A:
7.52
2r2vF-2p90A:
7.52
2r2vG-2p90A:
7.52
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.
2pla GLYCEROL-3-PHOSPHATE
DEHYDROGENASE 1-LIKE
PROTEIN

(Homo sapiens) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 ALA A 155
ASN A 156
ALA A 159
ALA A  19
SER A  18
 NAD  A 401 (-3.5A)
None
None
None
None
 1.09A 2r2vC-2plaA:
undetectable
2r2vF-2plaA:
undetectable
2r2vG-2plaA:
undetectable		 2r2vC-2plaA:
7.74
2r2vF-2plaA:
7.74
2r2vG-2plaA:
7.74
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.
2rva GLUCANASE

(Paenibacillus
fukuinensis) 		PF00754
(F5_F8_type_C) 		5 SER A 123
TYR A 122
ALA A  63
ALA A 117
TYR A 120
 None
 1.10A 2r2vC-2rvaA:
undetectable
2r2vF-2rvaA:
undetectable
2r2vG-2rvaA:
undetectable		 2r2vC-2rvaA:
12.78
2r2vF-2rvaA:
12.78
2r2vG-2rvaA:
12.78
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.
2vhs CATHSILICATEIN

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 SER A  57
ALA A  73
ASN A  62
ALA A  27
TYR A  76
 None
 1.46A 2r2vC-2vhsA:
undetectable
2r2vF-2vhsA:
undetectable
2r2vG-2vhsA:
undetectable		 2r2vC-2vhsA:
10.91
2r2vF-2vhsA:
10.91
2r2vG-2vhsA:
10.91
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.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 SER A 190
ALA A 159
ASN A 187
ALA A 155
ALA A 156
 None
 1.01A 2r2vC-2wa2A:
undetectable
2r2vF-2wa2A:
undetectable
2r2vG-2wa2A:
undetectable		 2r2vC-2wa2A:
9.20
2r2vF-2wa2A:
9.20
2r2vG-2wa2A:
9.20
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.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 SER A 190
TYR A 189
ALA A 159
ASN A 187
ALA A 156
 None
 1.38A 2r2vC-2wa2A:
undetectable
2r2vF-2wa2A:
undetectable
2r2vG-2wa2A:
undetectable		 2r2vC-2wa2A:
9.20
2r2vF-2wa2A:
9.20
2r2vG-2wa2A:
9.20
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 ALA A  72
ALA A 159
ALA A 160
SER A  68
TYR A  69
 None
 1.35A 2r2vC-2xfgA:
undetectable
2r2vF-2xfgA:
undetectable
2r2vG-2xfgA:
undetectable		 2r2vC-2xfgA:
4.94
2r2vF-2xfgA:
4.94
2r2vG-2xfgA:
4.94
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.
2xxl GRAM-POSITIVE
SPECIFIC SERINE
PROTEASE, ISOFORM B

(Drosophila
melanogaster) 		PF00089
(Trypsin)
PF12032
(CLIP) 		5 TYR A 215
HIS A 212
ALA A 162
ALA A 225
TYR A 364
 None
 1.42A 2r2vC-2xxlA:
undetectable
2r2vF-2xxlA:
undetectable
2r2vG-2xxlA:
undetectable		 2r2vC-2xxlA:
4.99
2r2vF-2xxlA:
4.99
2r2vG-2xxlA:
4.99
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.
3bcn ERVATAMIN-A

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		5 SER A  57
ALA A  71
ASN A  60
ALA A  27
TYR A  74
 None
 1.34A 2r2vC-3bcnA:
undetectable
2r2vF-3bcnA:
undetectable
2r2vG-3bcnA:
undetectable		 2r2vC-3bcnA:
12.37
2r2vF-3bcnA:
12.37
2r2vG-3bcnA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emo HIA (ADHESIN)

(Haemophilus
influenzae) 		no annotation 5 SER C1079
ALA C1034
ALA C1062
ALA C1033
SER C1030
 None
 1.43A 2r2vC-3emoC:
1.8
2r2vF-3emoC:
2.1
2r2vG-3emoC:
2.0		 2r2vC-3emoC:
13.04
2r2vF-3emoC:
13.04
2r2vG-3emoC:
13.04
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.
3f75 CATHEPSIN L PROTEASE

(Toxoplasma
gondii) 		PF00112
(Peptidase_C1) 		5 SER A  63
ALA A  79
ASN A  68
ALA A  33
TYR A  82
 None
 1.46A 2r2vC-3f75A:
undetectable
2r2vF-3f75A:
undetectable
2r2vG-3f75A:
undetectable		 2r2vC-3f75A:
9.05
2r2vF-3f75A:
9.05
2r2vG-3f75A:
9.05
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.
3ff2 UNCHARACTERIZED
CYSTATIN FOLD
PROTEIN
(YP_497570.1) FROM
NTF2 SUPERFAMILY

(Novosphingobium
aromaticivorans) 		PF12680
(SnoaL_2) 		5 TYR A  25
ALA A  13
ALA A   9
ALA A  12
TYR A  22
 None
 1.37A 2r2vC-3ff2A:
undetectable
2r2vF-3ff2A:
undetectable
2r2vG-3ff2A:
undetectable		 2r2vC-3ff2A:
13.79
2r2vF-3ff2A:
13.79
2r2vG-3ff2A:
13.79
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.
3gym PROSTASIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 TYR A  94
HIS A  91
ALA A  56
ALA A 104
TYR A 234
 None
 1.38A 2r2vC-3gymA:
undetectable
2r2vF-3gymA:
undetectable
2r2vG-3gymA:
undetectable		 2r2vC-3gymA:
8.50
2r2vF-3gymA:
8.50
2r2vG-3gymA:
8.50
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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 ALA A  93
ALA A 124
GLU A  46
ALA A  96
SER A  89
 None
 1.31A 2r2vC-3hutA:
undetectable
2r2vF-3hutA:
undetectable
2r2vG-3hutA:
undetectable		 2r2vC-3hutA:
6.65
2r2vF-3hutA:
6.65
2r2vG-3hutA:
6.65
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.
3lg3 ISOCITRATE LYASE

(Yersinia pestis) 		PF00463
(ICL) 		5 TYR A 280
ALA A 281
ALA A 232
ALA A 284
TYR A 283
 None
 1.33A 2r2vC-3lg3A:
undetectable
2r2vF-3lg3A:
undetectable
2r2vG-3lg3A:
undetectable		 2r2vC-3lg3A:
6.62
2r2vF-3lg3A:
6.62
2r2vG-3lg3A:
6.62
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.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		5 HIS A 227
ASN A 188
ALA A 204
ALA A 234
SER A 245
 None
 1.13A 2r2vC-3mkqA:
undetectable
2r2vF-3mkqA:
undetectable
2r2vG-3mkqA:
undetectable		 2r2vC-3mkqA:
4.10
2r2vF-3mkqA:
4.10
2r2vG-3mkqA:
4.10
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.
3ouq CYTOCHROME C FAMILY
PROTEIN

(Geobacter
sulfurreducens) 		PF14522
(Cytochrome_C7) 		5 SER A  81
HIS A  80
ALA A  14
ALA A  84
ALA A  13
 None
HEM  A 603 (-3.2A)
None
HEM  A 604 ( 3.8A)
HEM  A 604 ( 3.8A)
 1.27A 2r2vC-3ouqA:
undetectable
2r2vF-3ouqA:
undetectable
2r2vG-3ouqA:
undetectable		 2r2vC-3ouqA:
16.81
2r2vF-3ouqA:
16.81
2r2vG-3ouqA:
16.81
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.
3oyr TRANS-ISOPRENYL
DIPHOSPHATE SYNTHASE

(Caulobacter
vibrioides) 		PF00348
(polyprenyl_synt) 		5 SER A 196
ALA A  67
ALA A  70
ALA A  66
SER A 190
 None
 1.15A 2r2vC-3oyrA:
undetectable
2r2vF-3oyrA:
undetectable
2r2vG-3oyrA:
undetectable		 2r2vC-3oyrA:
9.71
2r2vF-3oyrA:
9.71
2r2vG-3oyrA:
9.71
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.
3q6d PROLINE DIPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ALA A 176
ALA A 139
ALA A 215
SER A 180
TYR A 216
 None
 1.09A 2r2vC-3q6dA:
undetectable
2r2vF-3q6dA:
undetectable
2r2vG-3q6dA:
undetectable		 2r2vC-3q6dA:
7.08
2r2vF-3q6dA:
7.08
2r2vG-3q6dA:
7.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rr2 CYSTEINE SYNTHASE

(Mycobacterium
marinum) 		PF00291
(PALP) 		5 HIS A 279
ALA A  28
ASN A 283
ALA A 284
ALA A  27
 None
 1.42A 2r2vC-3rr2A:
undetectable
2r2vF-3rr2A:
undetectable
2r2vG-3rr2A:
undetectable		 2r2vC-3rr2A:
9.40
2r2vF-3rr2A:
9.40
2r2vG-3rr2A:
9.40
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		5 SER A 298
ALA A 300
ALA A 252
ALA A 303
SER A 304
 None
 1.41A 2r2vC-3slkA:
undetectable
2r2vF-3slkA:
undetectable
2r2vG-3slkA:
undetectable		 2r2vC-3slkA:
3.66
2r2vF-3slkA:
3.66
2r2vG-3slkA:
3.66
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.
3tcm ALANINE
AMINOTRANSFERASE 2

(Hordeum vulgare) 		PF00155
(Aminotran_1_2) 		5 ALA A 137
ASN A 138
ALA A 139
ALA A 126
SER A 127
 None
 1.02A 2r2vC-3tcmA:
undetectable
2r2vF-3tcmA:
undetectable
2r2vG-3tcmA:
undetectable		 2r2vC-3tcmA:
6.21
2r2vF-3tcmA:
6.21
2r2vG-3tcmA:
6.21
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 SER A 186
HIS A 281
ALA A 157
ASN A 160
ALA A 159
 None
 1.35A 2r2vC-3wj2A:
undetectable
2r2vF-3wj2A:
undetectable
2r2vG-3wj2A:
undetectable		 2r2vC-3wj2A:
8.50
2r2vF-3wj2A:
8.50
2r2vG-3wj2A:
8.50
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.
3wks O-PHOSPHO-L-SERYL-TR
NA:CYS-TRNA SYNTHASE

(Methanocaldococcus
jannaschii) 		PF05889
(SepSecS) 		5 SER A 235
HIS A 233
ALA A 210
ALA A 230
ALA A 101
 LLP  A 234 ( 3.2A)
LLP  A 234 ( 3.5A)
LLP  A 234 ( 3.4A)
None
LLP  A 234 ( 3.5A)
 1.22A 2r2vC-3wksA:
undetectable
2r2vF-3wksA:
undetectable
2r2vG-3wksA:
undetectable		 2r2vC-3wksA:
7.14
2r2vF-3wksA:
7.14
2r2vG-3wksA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		5 ALA A 459
ASN A 460
ALA A 461
GLU A 416
ALA A 456
 None
 1.20A 2r2vC-3wmtA:
undetectable
2r2vF-3wmtA:
undetectable
2r2vG-3wmtA:
undetectable		 2r2vC-3wmtA:
5.25
2r2vF-3wmtA:
5.25
2r2vG-3wmtA:
5.25
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 ALA X 515
ALA X 519
GLU X 612
ALA X 616
SER X 615
 None
 1.25A 2r2vC-3zyyX:
undetectable
2r2vF-3zyyX:
undetectable
2r2vG-3zyyX:
undetectable		 2r2vC-3zyyX:
5.35
2r2vF-3zyyX:
5.35
2r2vG-3zyyX:
5.35
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 425
ASN A 473
ALA A 472
ALA A 422
SER A 423
 None
 1.38A 2r2vC-3zz1A:
undetectable
2r2vF-3zz1A:
undetectable
2r2vG-3zz1A:
undetectable		 2r2vC-3zz1A:
3.09
2r2vF-3zz1A:
3.09
2r2vG-3zz1A:
3.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 ALA A  52
ALA A  54
GLU A  17
ALA A  53
SER A  50
 None
 1.12A 2r2vC-4a2wA:
undetectable
2r2vF-4a2wA:
undetectable
2r2vG-4a2wA:
undetectable		 2r2vC-4a2wA:
3.32
2r2vF-4a2wA:
3.32
2r2vG-4a2wA:
3.32
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 SER A 496
HIS A 541
ALA A 536
ASN A 466
ALA A 499
 None
 1.44A 2r2vC-4avoA:
undetectable
2r2vF-4avoA:
undetectable
2r2vG-4avoA:
undetectable		 2r2vC-4avoA:
8.01
2r2vF-4avoA:
8.01
2r2vG-4avoA:
8.01
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 ALA A 956
GLU A1517
ALA A1593
SER A1592
TYR A1595
 None
GOL  A2796 (-3.6A)
None
GOL  A2796 ( 4.3A)
GOL  A2772 ( 4.6A)
 1.42A 2r2vC-4aygA:
undetectable
2r2vF-4aygA:
undetectable
2r2vG-4aygA:
undetectable		 2r2vC-4aygA:
2.96
2r2vF-4aygA:
2.96
2r2vG-4aygA:
2.96
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.
4bsz ANKYRIN
REPEAT-CONTAINING
PROTEIN YAR1

(Saccharomyces
cerevisiae) 		PF12796
(Ank_2) 		5 HIS B  55
ALA B  59
ASN B 103
ALA B 100
ALA B  58
 None
 1.27A 2r2vC-4bszB:
undetectable
2r2vF-4bszB:
undetectable
2r2vG-4bszB:
undetectable		 2r2vC-4bszB:
11.11
2r2vF-4bszB:
11.11
2r2vG-4bszB:
11.11
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		5 ALA I 515
ALA I 519
GLU I 612
ALA I 616
SER I 615
 None
 1.35A 2r2vC-4c1nI:
undetectable
2r2vF-4c1nI:
undetectable
2r2vG-4c1nI:
undetectable		 2r2vC-4c1nI:
6.55
2r2vF-4c1nI:
6.55
2r2vG-4c1nI:
6.55
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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		5 SER A 333
ALA A 336
ALA A 361
GLU A 325
ALA A 324
 None
 1.18A 2r2vC-4ctaA:
undetectable
2r2vF-4ctaA:
undetectable
2r2vG-4ctaA:
undetectable		 2r2vC-4ctaA:
7.32
2r2vF-4ctaA:
7.32
2r2vG-4ctaA:
7.32
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 HIS A   7
ALA A  39
ASN A  40
ALA A  43
ALA A  73
 None
 1.13A 2r2vC-4d4gA:
undetectable
2r2vF-4d4gA:
undetectable
2r2vG-4d4gA:
undetectable		 2r2vC-4d4gA:
5.54
2r2vF-4d4gA:
5.54
2r2vG-4d4gA:
5.54
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.
4d7q RALF,
PROLINE/BETAINE
TRANSPORTER

(Legionella
pneumophila;
Rickettsia
prowazekii) 		PF01369
(Sec7) 		5 SER A 127
ALA A 131
ASN A 128
ALA A 129
ALA A 132
 None
None
None
PEG  A1354 (-3.1A)
None
 1.19A 2r2vC-4d7qA:
undetectable
2r2vF-4d7qA:
undetectable
2r2vG-4d7qA:
undetectable		 2r2vC-4d7qA:
6.53
2r2vF-4d7qA:
6.53
2r2vG-4d7qA:
6.53
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.
4eqf PEX5-RELATED PROTEIN

(Mus musculus) 		PF13181
(TPR_8)
PF13432
(TPR_16) 		5 SER A 237
TYR A 224
ALA A 227
ASN A 205
ALA A 223
 None
 1.38A 2r2vC-4eqfA:
undetectable
2r2vF-4eqfA:
undetectable
2r2vG-4eqfA:
undetectable		 2r2vC-4eqfA:
9.42
2r2vF-4eqfA:
9.42
2r2vG-4eqfA:
9.42
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		5 ALA A 247
ASN A 253
ALA A 252
ALA A 222
SER A 223
 None
 1.39A 2r2vC-4fnmA:
undetectable
2r2vF-4fnmA:
undetectable
2r2vG-4fnmA:
undetectable		 2r2vC-4fnmA:
7.43
2r2vF-4fnmA:
7.43
2r2vG-4fnmA:
7.43
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.
4hpp PROBABLE GLUTAMINE
SYNTHETASE

(Pseudomonas
aeruginosa) 		PF00120
(Gln-synt_C)
PF16952
(Gln-synt_N_2) 		5 HIS A 438
ALA A 223
GLU A 441
ALA A 440
TYR A 439
 None
 1.41A 2r2vC-4hppA:
undetectable
2r2vF-4hppA:
undetectable
2r2vG-4hppA:
undetectable		 2r2vC-4hppA:
6.96
2r2vF-4hppA:
6.96
2r2vG-4hppA:
6.96
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.
4huj UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF03807
(F420_oxidored) 		5 ALA A 131
ALA A 135
GLU A  18
ALA A  15
SER A  14
 None
 1.01A 2r2vC-4hujA:
undetectable
2r2vF-4hujA:
undetectable
2r2vG-4hujA:
undetectable		 2r2vC-4hujA:
10.91
2r2vF-4hujA:
10.91
2r2vG-4hujA:
10.91
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.
4kl0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
oryzae) 		PF01156
(IU_nuc_hydro) 		5 TYR A 311
ALA A 314
ASN A 396
ALA A 310
ALA A 313
 None
 1.34A 2r2vC-4kl0A:
undetectable
2r2vF-4kl0A:
undetectable
2r2vG-4kl0A:
undetectable		 2r2vC-4kl0A:
6.90
2r2vF-4kl0A:
6.90
2r2vG-4kl0A:
6.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l9o SEC16,PROTEIN
TRANSPORT PROTEIN
SEC13

(Komagataella
pastoris;
Komagataella
phaffii) 		PF00400
(WD40) 		5 HIS A2155
ALA A2161
ALA A2130
ALA A2162
SER A2178
 None
EDO  A2405 ( 3.5A)
None
None
None
 0.90A 2r2vC-4l9oA:
undetectable
2r2vF-4l9oA:
undetectable
2r2vG-4l9oA:
undetectable		 2r2vC-4l9oA:
7.32
2r2vF-4l9oA:
7.32
2r2vG-4l9oA:
7.32
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 SER A  33
ALA A 297
ASN A 296
ALA A 299
SER A 328
 None
 1.33A 2r2vC-4mt1A:
undetectable
2r2vF-4mt1A:
undetectable
2r2vG-4mt1A:
undetectable		 2r2vC-4mt1A:
6.25
2r2vF-4mt1A:
6.25
2r2vG-4mt1A:
6.25
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.
4nar PUTATIVE URONATE
ISOMERASE

(Thermotoga
maritima) 		PF09861
(DUF2088) 		5 HIS A 180
ALA A 199
ALA A 182
ALA A 183
SER A 156
 SO4  A 501 (-4.0A)
None
None
None
None
 1.36A 2r2vC-4narA:
undetectable
2r2vF-4narA:
undetectable
2r2vG-4narA:
undetectable		 2r2vC-4narA:
5.88
2r2vF-4narA:
5.88
2r2vG-4narA:
5.88
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.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		5 HIS A 140
ALA A  90
ALA A  53
ALA A 134
TYR A 135
 None
None
NA  A 305 ( 4.5A)
None
None
 1.28A 2r2vC-4ookA:
undetectable
2r2vF-4ookA:
undetectable
2r2vG-4ookA:
undetectable		 2r2vC-4ookA:
12.96
2r2vF-4ookA:
12.96
2r2vG-4ookA:
12.96
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.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		5 HIS A 140
ALA A  90
ALA A 134
SER A  93
TYR A 135
 None
 1.38A 2r2vC-4ookA:
undetectable
2r2vF-4ookA:
undetectable
2r2vG-4ookA:
undetectable		 2r2vC-4ookA:
12.96
2r2vF-4ookA:
12.96
2r2vG-4ookA:
12.96
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 HIS A 393
ALA A 326
ASN A 377
ALA A 324
TYR A 325
 None
 1.30A 2r2vC-4qjyA:
undetectable
2r2vF-4qjyA:
undetectable
2r2vG-4qjyA:
undetectable		 2r2vC-4qjyA:
5.15
2r2vF-4qjyA:
5.15
2r2vG-4qjyA:
5.15
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.
4rma EZRIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 TYR A 128
HIS A 176
ALA A 129
ALA A 187
ALA A 132
 None
 1.28A 2r2vC-4rmaA:
undetectable
2r2vF-4rmaA:
undetectable
2r2vG-4rmaA:
undetectable		 2r2vC-4rmaA:
15.23
2r2vF-4rmaA:
15.23
2r2vG-4rmaA:
15.23
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.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		5 SER A 275
TYR A 284
ALA A 279
ASN A 276
ALA A 280
 None
 1.15A 2r2vC-4w5zA:
undetectable
2r2vF-4w5zA:
undetectable
2r2vG-4w5zA:
undetectable		 2r2vC-4w5zA:
6.67
2r2vF-4w5zA:
6.67
2r2vG-4w5zA:
6.67
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 HIS A 198
ALA A  86
GLU A 197
ALA A 190
TYR A 199
 None
 1.42A 2r2vC-4xhbA:
undetectable
2r2vF-4xhbA:
undetectable
2r2vG-4xhbA:
undetectable		 2r2vC-4xhbA:
4.84
2r2vF-4xhbA:
4.84
2r2vG-4xhbA:
4.84
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.
4y1b ANTE

(Streptomyces
sp. NRRL 2288) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 173
ALA A 175
ALA A 404
ALA A  59
SER A  98
 None
 1.41A 2r2vC-4y1bA:
undetectable
2r2vF-4y1bA:
undetectable
2r2vG-4y1bA:
undetectable		 2r2vC-4y1bA:
8.01
2r2vF-4y1bA:
8.01
2r2vG-4y1bA:
8.01
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.
4y96 TRIOSEPHOSPHATE
ISOMERASE

(Gemmata
obscuriglobus) 		PF00121
(TIM) 		5 ALA A 156
ALA A 154
GLU A 110
ALA A 153
TYR A 152
 None
 1.38A 2r2vC-4y96A:
undetectable
2r2vF-4y96A:
undetectable
2r2vG-4y96A:
undetectable		 2r2vC-4y96A:
15.43
2r2vF-4y96A:
15.43
2r2vG-4y96A:
15.43
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 SER A 383
ALA A 410
ALA A 408
ALA A 411
SER A 376
 None
 1.21A 2r2vC-5a8rA:
undetectable
2r2vF-5a8rA:
undetectable
2r2vG-5a8rA:
undetectable		 2r2vC-5a8rA:
5.50
2r2vF-5a8rA:
5.50
2r2vG-5a8rA:
5.50
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.
5avp L-RIBOSE ISOMERASE

(Geodermatophilus
obscurus) 		no annotation 5 ALA A 241
ASN A 244
ALA A 243
ALA A 240
SER A 167
 None
 1.31A 2r2vC-5avpA:
undetectable
2r2vF-5avpA:
undetectable
2r2vG-5avpA:
undetectable		 2r2vC-5avpA:
7.92
2r2vF-5avpA:
7.92
2r2vG-5avpA:
7.92
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.
5cxv MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ALA A 111
ASN A 115
ALA A  70
ALA A 108
SER A 109
 None
None
None
None
0HK  A 501 (-3.1A)
 1.45A 2r2vC-5cxvA:
undetectable
2r2vF-5cxvA:
undetectable
2r2vG-5cxvA:
undetectable		 2r2vC-5cxvA:
7.18
2r2vF-5cxvA:
7.18
2r2vG-5cxvA:
7.18
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 HIS A 176
ALA A 182
ALA A 149
ALA A 183
SER A 193
 None
 0.98A 2r2vC-5cykA:
undetectable
2r2vF-5cykA:
undetectable
2r2vG-5cykA:
undetectable		 2r2vC-5cykA:
5.87
2r2vF-5cykA:
5.87
2r2vG-5cykA:
5.87
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 HIS A 296
ALA A 302
ALA A 243
ALA A 303
SER A 315
 None
 1.05A 2r2vC-5cykA:
undetectable
2r2vF-5cykA:
undetectable
2r2vG-5cykA:
undetectable		 2r2vC-5cykA:
5.87
2r2vF-5cykA:
5.87
2r2vG-5cykA:
5.87
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.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae) 		PF00463
(ICL) 		5 TYR A 395
ALA A 396
ALA A 251
ALA A 399
TYR A 398
 None
 1.37A 2r2vC-5e9gA:
undetectable
2r2vF-5e9gA:
undetectable
2r2vG-5e9gA:
undetectable		 2r2vC-5e9gA:
5.50
2r2vF-5e9gA:
5.50
2r2vG-5e9gA:
5.50
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.
5fzq DESIGNED TPR PROTEIN

(synthetic
construct) 		PF01649
(Ribosomal_S20p)
PF13181
(TPR_8)
PF13424
(TPR_12) 		5 ALA A  10
ASN A  11
ALA A  14
GLU A  50
ALA A  22
 None
 1.10A 2r2vC-5fzqA:
undetectable
2r2vF-5fzqA:
undetectable
2r2vG-5fzqA:
undetectable		 2r2vC-5fzqA:
23.71
2r2vF-5fzqA:
23.71
2r2vG-5fzqA:
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.
5fzs DESIGNED TPR PROTEIN

(synthetic
construct) 		PF13181
(TPR_8)
PF13424
(TPR_12) 		5 ALA A  44
ASN A  45
ALA A  48
GLU A  84
ALA A  56
 None
 1.00A 2r2vC-5fzsA:
undetectable
2r2vF-5fzsA:
undetectable
2r2vG-5fzsA:
undetectable		 2r2vC-5fzsA:
23.71
2r2vF-5fzsA:
23.71
2r2vG-5fzsA:
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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 SER A 385
ALA A 407
ASN A 382
ALA A 405
ALA A 408
 None
None
UDP  A 501 ( 4.0A)
None
None
 1.14A 2r2vC-5huuA:
undetectable
2r2vF-5huuA:
undetectable
2r2vG-5huuA:
undetectable		 2r2vC-5huuA:
5.24
2r2vF-5huuA:
5.24
2r2vG-5huuA:
5.24
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.
5hvo ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		5 SER A 392
ALA A 414
ASN A 389
ALA A 412
ALA A 415
 None
None
UDP  A 501 ( 3.7A)
None
None
 1.18A 2r2vC-5hvoA:
undetectable
2r2vF-5hvoA:
undetectable
2r2vG-5hvoA:
undetectable		 2r2vC-5hvoA:
5.65
2r2vF-5hvoA:
5.65
2r2vG-5hvoA:
5.65
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.
5i2t PERIODIC TRYPTOPHAN
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ASN A 259
ALA A 258
GLU A 283
ALA A 261
SER A 281
 None
 1.39A 2r2vC-5i2tA:
undetectable
2r2vF-5i2tA:
undetectable
2r2vG-5i2tA:
undetectable		 2r2vC-5i2tA:
4.11
2r2vF-5i2tA:
4.11
2r2vG-5i2tA:
4.11
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.
5i2t PERIODIC TRYPTOPHAN
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 SER A 389
HIS A 386
ASN A 349
ALA A 363
SER A 404
 None
 1.31A 2r2vC-5i2tA:
undetectable
2r2vF-5i2tA:
undetectable
2r2vG-5i2tA:
undetectable		 2r2vC-5i2tA:
4.11
2r2vF-5i2tA:
4.11
2r2vG-5i2tA:
4.11
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.
5i4h CATHEPSIN L1

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 SER A  57
ALA A  73
ASN A  62
ALA A  27
TYR A  76
 None
 1.43A 2r2vC-5i4hA:
undetectable
2r2vF-5i4hA:
undetectable
2r2vG-5i4hA:
undetectable		 2r2vC-5i4hA:
13.64
2r2vF-5i4hA:
13.64
2r2vG-5i4hA:
13.64
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.
5igq E3 UBIQUITIN-PROTEIN
LIGASE RFWD2

(Homo sapiens) 		PF00400
(WD40) 		5 ALA A 556
ASN A 557
ALA A 536
GLU A 553
ALA A 554
 None
 1.35A 2r2vC-5igqA:
undetectable
2r2vF-5igqA:
undetectable
2r2vG-5igqA:
undetectable		 2r2vC-5igqA:
7.46
2r2vF-5igqA:
7.46
2r2vG-5igqA:
7.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5it5 ATP BINDING
MOTIF-CONTAINING
PROTEIN PILF

(Thermus
thermophilus) 		no annotation 5 ALA F 751
ALA F 749
GLU F 833
ALA F 748
SER F 774
 None
 1.42A 2r2vC-5it5F:
undetectable
2r2vF-5it5F:
undetectable
2r2vG-5it5F:
undetectable		 2r2vC-5it5F:
6.81
2r2vF-5it5F:
6.81
2r2vG-5it5F:
6.81
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 ALA A 944
GLU A1492
ALA A1570
SER A1569
TYR A1572
 None
 1.37A 2r2vC-5jbeA:
undetectable
2r2vF-5jbeA:
undetectable
2r2vG-5jbeA:
undetectable		 2r2vC-5jbeA:
3.73
2r2vF-5jbeA:
3.73
2r2vG-5jbeA:
3.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 SER A 404
ALA A 182
ASN A 405
ALA A 367
SER A 178
 None
 1.25A 2r2vC-5l26A:
undetectable
2r2vF-5l26A:
undetectable
2r2vG-5l26A:
undetectable		 2r2vC-5l26A:
11.45
2r2vF-5l26A:
11.45
2r2vG-5l26A:
11.45
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 SER A 108
ALA A 157
ALA A 156
SER A 155
TYR A 154
 None
 1.43A 2r2vC-5o3zA:
undetectable
2r2vF-5o3zA:
undetectable
2r2vG-5o3zA:
undetectable		 2r2vC-5o3zA:
undetectable
2r2vF-5o3zA:
undetectable
2r2vG-5o3zA:
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.
5uqe GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase)
PF12796
(Ank_2) 		5 HIS A 591
ALA A 593
ALA A 595
GLU A 626
ALA A 594
 None
 1.12A 2r2vC-5uqeA:
undetectable
2r2vF-5uqeA:
undetectable
2r2vG-5uqeA:
undetectable		 2r2vC-5uqeA:
6.59
2r2vF-5uqeA:
6.59
2r2vG-5uqeA:
6.59
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.
5wz4 23S RRNA-SPECIFIC
ENDONUCLEASE VAPC20

(Mycobacterium
tuberculosis) 		no annotation 5 SER A 101
ALA A   5
ALA A 113
GLU A 127
ALA A 115
 None
 1.40A 2r2vC-5wz4A:
undetectable
2r2vF-5wz4A:
undetectable
2r2vG-5wz4A:
undetectable		 2r2vC-5wz4A:
18.10
2r2vF-5wz4A:
18.10
2r2vG-5wz4A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER

(Yersinia pestis) 		no annotation 5 SER A 288
TYR A 238
ALA A 240
ALA A 290
TYR A 289
 None
 1.46A 2r2vC-6b2yA:
undetectable
2r2vF-6b2yA:
undetectable
2r2vG-6b2yA:
undetectable		 2r2vC-6b2yA:
6.89
2r2vF-6b2yA:
6.89
2r2vG-6b2yA:
6.89