SIMILAR PATTERNS OF AMINO ACIDS FOR 4Q5M_A_ROCA1101_2

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 176
ILE A 179
GLY A 163
ILE A 177
ILE A 150
 None
 1.01A 4q5mA-1b0kA:
undetectable		 4q5mA-1b0kA:
15.90
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.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 VAL A 177
GLY A 213
GLY A 237
ILE A 212
ILE A 283
 None
 0.99A 4q5mA-1bs0A:
undetectable		 4q5mA-1bs0A:
21.17
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.
1dle COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A  66
ILE A  33
GLY A 196
ASP A 102
ILE A 106
 None
 0.85A 4q5mA-1dleA:
undetectable		 4q5mA-1dleA:
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.
1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN

(Methanocaldococcus
jannaschii) 		PF00005
(ABC_tran) 		5 GLY A 165
ILE A 192
GLY A 157
ILE A 164
VAL A  99
 None
 0.92A 4q5mA-1gajA:
undetectable		 4q5mA-1gajA:
25.28
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 ARG A 403
GLY A 226
GLY A 404
ASP A  45
ILE A 266
 GOL  A1451 (-4.1A)
None
None
GOL  A1451 (-3.9A)
None
 0.83A 4q5mA-1h4pA:
undetectable		 4q5mA-1h4pA:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
VAL A  32
GLY A  48
ILE A  84
ILE A  50
 A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
 1.01A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ALA A  28
VAL A  32
GLY A  49
ILE A  84
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
A79  A 800 (-3.0A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.53A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ALA A  28
VAL A  32
GLY A  49
ILE A  84
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
A79  A 800 (-3.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.55A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ARG A   8
ALA A  28
VAL A  32
GLY A  49
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.0A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.58A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ARG A   8
ALA A  28
VAL A  32
GLY A  49
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 (-3.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.61A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.91A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ARG A 437
ALA A 474
ILE A 458
GLY A 433
VAL A 502
 ADX  A 575 (-3.7A)
None
None
ADX  A 575 ( 4.3A)
None
 0.97A 4q5mA-1i2dA:
undetectable		 4q5mA-1i2dA:
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 ILE A 162
GLY A 152
ASP A 148
GLY A  99
ILE A 145
 None
None
ADN  A 500 (-3.7A)
ADN  A 500 (-3.2A)
CL  A 300 ( 4.7A)
 0.91A 4q5mA-1jg3A:
undetectable		 4q5mA-1jg3A:
22.92
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.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 422
ASP A 414
GLY A 420
ILE A 330
VAL A 349
 None
 0.90A 4q5mA-1jnyA:
undetectable		 4q5mA-1jnyA:
19.42
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.
1kve SMK TOXIN

(Millerozyma
farinosa) 		no annotation 5 ALA B 189
GLY B 153
GLY B 155
ILE B 203
PRO B 214
 None
 1.01A 4q5mA-1kveB:
undetectable		 4q5mA-1kveB:
18.90
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.
1ou0 PRECORRIN-8X
METHYLMUTASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF02570
(CbiC) 		5 ALA A  40
GLY A 190
ILE A 198
GLY A 135
ILE A 161
 None
 0.78A 4q5mA-1ou0A:
undetectable		 4q5mA-1ou0A:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 VAL A 189
GLY A 194
ASP A  29
GLY A  24
ILE A 178
 None
 1.03A 4q5mA-1poiA:
undetectable		 4q5mA-1poiA:
21.22
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.
1rtk COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 VAL A 514
ILE A 474
GLY A 675
ASP A 551
ILE A 555
 None
 0.99A 4q5mA-1rtkA:
undetectable		 4q5mA-1rtkA:
15.90
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.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		5 VAL A 271
GLY A 233
ASP A  93
VAL A  54
ILE A 236
 None
 1.03A 4q5mA-1si1A:
undetectable		 4q5mA-1si1A:
19.81
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.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		5 VAL A 271
GLY A 233
ILE A  84
VAL A  54
ILE A 236
 None
 0.99A 4q5mA-1si1A:
undetectable		 4q5mA-1si1A:
19.81
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.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.60A 4q5mA-1sivA:
15.6		 4q5mA-1sivA:
28.08
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT

(Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 ALA A 214
VAL A 342
GLY A 379
ILE A 340
ILE A 385
 None
 0.87A 4q5mA-1uliA:
undetectable		 4q5mA-1uliA:
18.46
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
ALPHA SUBUNIT

(Mus musculus) 		PF00400
(WD40) 		5 ALA C 166
VAL C 221
ILE C 207
PRO C 118
ILE C 115
 None
 1.03A 4q5mA-1vyhC:
undetectable		 4q5mA-1vyhC:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		5 GLY A 241
GLY A 296
ILE A 297
PRO A 221
VAL A 220
 None
 0.96A 4q5mA-1w3fA:
undetectable		 4q5mA-1w3fA:
20.06
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.
1ydw AX110P-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01408
(GFO_IDH_MocA) 		5 GLY A  10
GLY A  95
ILE A  72
VAL A  77
ILE A  98
 None
 1.01A 4q5mA-1ydwA:
undetectable		 4q5mA-1ydwA:
19.02
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.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ALA A 481
ILE A 652
GLY A 470
VAL A 517
ILE A 536
 None
 0.92A 4q5mA-1zjkA:
undetectable		 4q5mA-1zjkA:
17.85
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.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 ARG A 123
GLY A 131
ASP A 187
ILE A 132
ILE A  94
 None
 1.01A 4q5mA-2csuA:
undetectable		 4q5mA-2csuA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dup VESICULAR
INTEGRAL-MEMBRANE
PROTEIN VIP36

(Canis lupus) 		PF03388
(Lectin_leg-like) 		5 ARG A 172
ILE A 177
GLY A 201
ILE A 159
ILE A 242
 None
 1.03A 4q5mA-2dupA:
undetectable		 4q5mA-2dupA:
21.88
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
VAL A  32
GLY A  55
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-4.2A)
 0.51A 4q5mA-2fmbA:
12.7		 4q5mA-2fmbA:
24.14
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 GLY A  27
ASP A  29
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.47A 4q5mA-2fmbA:
12.7		 4q5mA-2fmbA:
24.14
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.
2i6u ORNITHINE
CARBAMOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A 173
ILE A 139
GLY A 144
GLY A 148
ILE A 174
 None
 0.96A 4q5mA-2i6uA:
undetectable		 4q5mA-2i6uA:
22.41
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLY A 305
ILE A 341
GLY A 320
VAL A 313
ILE A 315
 None
None
None
None
CB3  A 604 ( 3.7A)
 0.84A 4q5mA-2oipA:
undetectable		 4q5mA-2oipA:
17.25
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.
2rhk NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 VAL A 194
GLY A 179
GLY A 158
GLY A 183
ILE A 182
 None
None
None
None
NO3  A   3 ( 4.4A)
 0.94A 4q5mA-2rhkA:
undetectable		 4q5mA-2rhkA:
22.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-3.9A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.50A 4q5mA-2rkfA:
18.1		 4q5mA-2rkfA:
42.36
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.
2v6g PROGESTERONE
5-BETA-REDUCTASE

(Digitalis
lanata) 		PF01370
(Epimerase) 		5 VAL A  58
GLY A  39
ILE A  75
GLY A  33
ILE A  31
 None
None
None
NAP  A1390 (-3.1A)
None
 1.01A 4q5mA-2v6gA:
undetectable		 4q5mA-2v6gA:
21.16
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 ALA A 347
GLY A 352
ILE A  60
ILE A 353
ILE A 197
 None
 0.99A 4q5mA-2vhlA:
undetectable		 4q5mA-2vhlA:
20.76
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.
2vvq RIBOSE-5-PHOSPHATE
ISOMERASE B

(Mycobacterium
tuberculosis) 		PF02502
(LacAB_rpiB) 		5 ALA A  96
VAL A 124
GLY A 109
GLY A 111
ILE A 110
 None
 1.03A 4q5mA-2vvqA:
undetectable		 4q5mA-2vvqA:
20.37
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.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 ALA A 270
GLY A  94
ASP A  92
VAL A 226
ILE A 257
 None
 0.93A 4q5mA-2w8qA:
undetectable		 4q5mA-2w8qA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 VAL F 514
ILE F 474
GLY F 675
ASP F 551
ILE F 555
 None
 0.98A 4q5mA-2xwbF:
undetectable		 4q5mA-2xwbF:
13.90
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.
2zp2 KINASE A INHIBITOR

(Bacillus
subtilis) 		PF02682
(CT_C_D) 		5 VAL A 130
GLY A 199
GLY A 178
ILE A 198
ILE A 104
 None
 1.03A 4q5mA-2zp2A:
undetectable		 4q5mA-2zp2A:
21.18
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 ALA A 665
ILE A 731
GLY A 615
GLY A 726
ILE A 709
 None
 0.95A 4q5mA-2zzgA:
undetectable		 4q5mA-2zzgA:
13.50
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.
3agf GLUTAMINASE 1

(Bacillus
subtilis) 		PF04960
(Glutaminase) 		5 VAL A 234
ILE A 235
GLY A 218
ILE A 220
PRO A 281
 None
 1.02A 4q5mA-3agfA:
undetectable		 4q5mA-3agfA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3beu TRYPSIN

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 ALA A  55
ILE A 212
GLY A  44
VAL A  88
ILE A 106
 None
 0.93A 4q5mA-3beuA:
undetectable		 4q5mA-3beuA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 ARG A 273
VAL A  81
GLY A  67
GLY A  65
ILE A  66
 None
 0.79A 4q5mA-3eshA:
undetectable		 4q5mA-3eshA:
20.07
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.
3hh8 METAL ABC
TRANSPORTER
SUBSTRATE-BINDING
LIPOPROTEIN

(Streptococcus
pyogenes) 		PF01297
(ZnuA) 		5 ALA A 140
VAL A 124
ILE A 122
PRO A  66
ILE A  41
 None
 0.97A 4q5mA-3hh8A:
undetectable		 4q5mA-3hh8A:
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLY A 296
ILE A 332
GLY A 311
VAL A 304
ILE A 306
 None
None
None
None
GOL  A 516 (-3.9A)
 0.80A 4q5mA-3kjrA:
undetectable		 4q5mA-3kjrA:
18.48
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.
3ksg PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF13185
(GAF_2) 		5 ALA A  81
GLY A 122
GLY A  74
ILE A 120
ILE A  71
 None
None
None
None
SME  A6888 ( 4.2A)
 0.95A 4q5mA-3ksgA:
undetectable		 4q5mA-3ksgA:
23.19
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.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ALA A 287
GLY A 258
GLY A 291
VAL A 240
ILE A 242
 None
 0.96A 4q5mA-3kzwA:
undetectable		 4q5mA-3kzwA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m5r NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 VAL A 194
GLY A 179
GLY A 158
GLY A 183
ILE A 182
 None
 0.90A 4q5mA-3m5rA:
undetectable		 4q5mA-3m5rA:
26.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.60A 4q5mA-3mwsA:
16.8		 4q5mA-3mwsA:
39.90
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.
3my9 MUCONATE
CYCLOISOMERASE

(Azorhizobium
caulinodans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 272
GLY A 297
PRO A 352
VAL A 351
ILE A 135
 None
 0.98A 4q5mA-3my9A:
undetectable		 4q5mA-3my9A:
19.79
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.
3p39 NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 VAL A 189
GLY A 174
GLY A 153
GLY A 178
ILE A 177
 None
 0.88A 4q5mA-3p39A:
undetectable		 4q5mA-3p39A:
24.15
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.
3q58 N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Salmonella
enterica) 		PF04131
(NanE) 		5 ALA A 103
GLY A 151
ILE A  70
ILE A 182
ILE A 147
 None
 1.03A 4q5mA-3q58A:
undetectable		 4q5mA-3q58A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A 286
VAL A 272
GLY A 250
GLY A 281
VAL A  47
 None
None
None
SO4  A 449 (-3.3A)
None
 0.87A 4q5mA-3r0zA:
undetectable		 4q5mA-3r0zA:
18.48
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.
3rvx PEPTIDASE 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		5 GLY A  39
ILE A 113
GLY A  87
GLY A  79
ILE A  80
 None
 0.93A 4q5mA-3rvxA:
undetectable		 4q5mA-3rvxA:
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 ALA A 919
ILE A 956
GLY A 951
VAL A1236
ILE A 926
 None
 0.94A 4q5mA-3sfzA:
undetectable		 4q5mA-3sfzA:
9.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 247
GLY A  70
ILE A 277
GLY A  50
VAL A  85
 None
 1.02A 4q5mA-3tsdA:
undetectable		 4q5mA-3tsdA:
17.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-3.6A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.58A 4q5mA-3ttpA:
16.7		 4q5mA-3ttpA:
39.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 3.5A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.51A 4q5mA-3u7sA:
17.0		 4q5mA-3u7sA:
38.42
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 VAL A  46
GLY A  64
ILE A 104
GLY A  33
ILE A 139
 None
 0.92A 4q5mA-3uw2A:
undetectable		 4q5mA-3uw2A:
19.67
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.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		5 GLY A 167
ILE A 113
GLY A 258
ILE A  95
ILE A 210
 None
 0.99A 4q5mA-3visA:
undetectable		 4q5mA-3visA:
21.84
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 GLY B 341
ILE B 370
GLY B 365
GLY B 361
ILE B 342
 None
 1.03A 4q5mA-3w0lB:
undetectable		 4q5mA-3w0lB:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis) 		PF00232
(Glyco_hydro_1) 		5 ILE A 149
GLY A  46
PRO A 494
VAL A 482
ILE A 481
 None
 0.91A 4q5mA-3wq4A:
undetectable		 4q5mA-3wq4A:
17.42
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.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 GLY A 131
ILE A 153
GLY A 129
ILE A 130
ILE A 111
 None
 0.89A 4q5mA-3wz2A:
undetectable		 4q5mA-3wz2A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		5 VAL A 122
GLY A  15
GLY A  11
GLY A 138
ILE A 137
 None
 0.79A 4q5mA-4a3sA:
undetectable		 4q5mA-4a3sA:
20.13
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.
4cg1 CUTINASE

(Thermobifida
fusca) 		PF12740
(Chlorophyllase2) 		5 GLY A 128
ILE A  74
GLY A 219
ILE A  56
ILE A 171
 None
 0.96A 4q5mA-4cg1A:
undetectable		 4q5mA-4cg1A:
21.55
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.
4cxh ELONGATION FACTOR 1A

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 422
ASP A 414
GLY A 420
ILE A 330
VAL A 349
 None
A  Y  64 ( 3.8A)
None
None
None
 0.97A 4q5mA-4cxhA:
undetectable		 4q5mA-4cxhA:
18.48
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.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA H 481
ILE H 652
GLY H 470
VAL H 517
ILE H 536
 None
 0.99A 4q5mA-4fxgH:
undetectable		 4q5mA-4fxgH:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 VAL A 246
ASP A 262
ILE A 281
VAL A 170
ILE A 166
 None
ILE  A 401 (-2.8A)
None
None
None
 0.99A 4q5mA-4gnrA:
undetectable		 4q5mA-4gnrA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hpn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 305
GLY A  46
GLY A 362
GLY A  44
ILE A 117
 None
 1.01A 4q5mA-4hpnA:
undetectable		 4q5mA-4hpnA:
20.16
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.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.78A 4q5mA-4k5uB:
undetectable		 4q5mA-4k5uB:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 ALA A  60
GLY A  27
ASP A  29
ILE A  51
ILE A  34
 None
None
CA  A 400 ( 4.5A)
None
None
 0.94A 4q5mA-4kpnA:
undetectable		 4q5mA-4kpnA:
22.64
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 ALA A  43
GLY A  10
ASP A  12
ILE A  34
ILE A  17
 None
None
CA  A 401 ( 4.8A)
None
None
 0.92A 4q5mA-4kpoA:
undetectable		 4q5mA-4kpoA:
19.71
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A  90
GLY A  45
PRO A  52
VAL A  51
ILE A  69
 None
 0.85A 4q5mA-4kt1A:
undetectable		 4q5mA-4kt1A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l68 LEUCINE-RICH REPEAT
PROTEIN KINASE-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		5 VAL A 434
GLY A 493
ILE A 435
GLY A 407
ILE A 430
 None
 0.90A 4q5mA-4l68A:
undetectable		 4q5mA-4l68A:
19.24
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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 VAL A  22
GLY A 205
GLY A 460
ILE A 459
ILE A 423
 None
 0.81A 4q5mA-4m8jA:
undetectable		 4q5mA-4m8jA:
20.90
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.
4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE

(Pseudomonas
aeruginosa) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 418
GLY A 399
ILE A 444
VAL A 409
ILE A 403
 None
 0.99A 4q5mA-4mrqA:
undetectable		 4q5mA-4mrqA:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.40A 4q5mA-4njvA:
17.6		 4q5mA-4njvA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 4q5mA-4njvA:
17.6		 4q5mA-4njvA:
43.35
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.
4o9r SMOOTHENED
HOMOLOG/SOLUBLE
CYTOCHROME B562
CHIMERIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 ALA A 283
GLY A 277
ILE A 317
GLY A 388
ILE A 234
 None
 0.95A 4q5mA-4o9rA:
undetectable		 4q5mA-4o9rA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 ILE A 122
GLY A  22
PRO A 463
VAL A 452
ILE A 451
 None
 0.96A 4q5mA-4qljA:
undetectable		 4q5mA-4qljA:
17.08
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.
4xfj ARGININOSUCCINATE
SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00764
(Arginosuc_synth) 		6 ALA A 240
VAL A 220
GLY A 276
ILE A 230
GLY A 248
VAL A 180
 None
 0.88A 4q5mA-4xfjA:
undetectable		 4q5mA-4xfjA:
20.19
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.
5aew BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Paraburkholderia
xenovorans) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 ALA A 223
VAL A 352
GLY A 389
ILE A 350
ILE A 395
 None
 0.91A 4q5mA-5aewA:
undetectable		 4q5mA-5aewA:
19.14
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 GLY A 605
GLY A 462
GLY A 603
VAL A 377
ILE A 416
 None
L6I  A1615 ( 3.2A)
L6I  A1615 (-3.3A)
None
None
 1.00A 4q5mA-5fnuA:
undetectable		 4q5mA-5fnuA:
22.04
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.
5hn4 HOMOISOCITRATE
DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00180
(Iso_dh) 		5 ALA A  26
ILE A 319
GLY A 282
ILE A 285
VAL A  31
 None
 0.99A 4q5mA-5hn4A:
undetectable		 4q5mA-5hn4A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lkm DNA REPAIR PROTEIN
RADA

(Streptococcus
pneumoniae) 		PF13481
(AAA_25)
PF13541
(ChlI) 		5 ALA A 371
GLY A 391
ILE A 444
ILE A 399
VAL A 294
 None
 1.01A 4q5mA-5lkmA:
undetectable		 4q5mA-5lkmA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlh -

(-) 		no annotation 5 VAL A  58
GLY A  39
ILE A  75
GLY A  33
ILE A  31
 None
None
None
NAP  A 404 (-3.1A)
None
 0.97A 4q5mA-5mlhA:
undetectable		 4q5mA-5mlhA:
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.
5ohx CYSTATHIONINE
BETA-SYNTHASE

(Apis mellifera) 		no annotation 5 ARG A 225
GLY A 213
GLY A 224
GLY A 217
PRO A 333
 HEM  A 701 (-4.0A)
None
None
PLP  A 702 (-3.6A)
PLP  A 702 (-4.0A)
 0.93A 4q5mA-5ohxA:
undetectable		 4q5mA-5ohxA:
17.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 None
 0.39A 4q5mA-5t2zA:
17.5		 4q5mA-5t2zA:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.62A 4q5mA-5t2zA:
17.5		 4q5mA-5t2zA:
40.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tv2 ELONGATION FACTOR G

(Vibrio
vulnificus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		5 ALA A 382
GLY A 385
GLY A 329
VAL A 389
ILE A 322
 None
 0.87A 4q5mA-5tv2A:
undetectable		 4q5mA-5tv2A:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 VAL A  74
GLY A  13
ILE A  75
GLY A  17
ILE A   7
 None
 0.88A 4q5mA-5ucyA:
undetectable		 4q5mA-5ucyA:
17.08
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG
SISTER CHROMATID
COHESION PROTEIN 2

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load)
no annotation 		5 ALA B  17
ILE B  14
GLY B  12
GLY A 589
ILE A 588
 None
 1.01A 4q5mA-5w94B:
undetectable		 4q5mA-5w94B:
22.48
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.
5xdy HEAT SHOCK PROTEIN
HTRA

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 308
GLY A 256
ILE A 272
ILE A 243
VAL A 259
 None
 0.95A 4q5mA-5xdyA:
undetectable		 4q5mA-5xdyA:
17.00
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.
5xsx CHITINASE

(Thermococcus
chitonophagus) 		no annotation 5 ARG A 499
ASP A 487
GLY A 484
ILE A 483
ILE A 700
 GOL  A1004 (-4.0A)
GOL  A1004 (-3.5A)
None
None
None
 0.92A 4q5mA-5xsxA:
undetectable		 4q5mA-5xsxA:
16.26
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.
5z11 CD8 ALPHA CHAIN

(Ctenopharyngodon
idella) 		no annotation 5 VAL A  19
ILE A  76
ASP A  43
GLY A  86
ILE A 106
 None
 1.01A 4q5mA-5z11A:
undetectable		 4q5mA-5z11A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 ALA A 575
VAL A 569
ILE A 570
GLY A 439
ILE A 438
 None
 1.00A 4q5mA-6cipA:
undetectable		 4q5mA-6cipA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fmq -

(-) 		no annotation 5 GLY A 605
GLY A 462
GLY A 603
VAL A 377
ILE A 416
 None
None
ACT  A 705 ( 3.8A)
None
None
 1.01A 4q5mA-6fmqA:
undetectable		 4q5mA-6fmqA:
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.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.84A 4q5mA-6upjA:
15.3		 4q5mA-6upjA:
26.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
None
None
 0.75A 4q5mA-6upjA:
15.3		 4q5mA-6upjA:
26.60