SIMILAR PATTERNS OF AMINO ACIDS FOR 5VKQ_B_PCFB1802

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.
1c6v PROTEIN (SIV
INTEGRASE)

(Simian
immunodeficiency
virus) 		PF00665
(rve) 		4 THR A  97
PHE A 121
VAL A 126
ILE A 110
 None
 1.19A 5vkqA-1c6vA:
0.0
5vkqB-1c6vA:
0.0		 5vkqA-1c6vA:
7.59
5vkqB-1c6vA:
7.59
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.
1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE

(Neurospora
crassa) 		PF10282
(Lactonase) 		4 SER A 265
THR A 263
PHE A 270
ILE A 295
 None
 1.00A 5vkqA-1jofA:
undetectable
5vkqB-1jofA:
undetectable		 5vkqA-1jofA:
11.64
5vkqB-1jofA:
11.64
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.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 SER B  78
PHE B  25
HIS B  52
ILE B  32
 None
 1.14A 5vkqA-1mabB:
undetectable
5vkqB-1mabB:
undetectable		 5vkqA-1mabB:
15.56
5vkqB-1mabB:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ta9 GLYCEROL
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00465
(Fe-ADH) 		4 SER A 180
THR A 178
PRO A 176
ILE A 174
 None
 1.24A 5vkqA-1ta9A:
undetectable
5vkqB-1ta9A:
undetectable		 5vkqA-1ta9A:
13.56
5vkqB-1ta9A:
13.56
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 413
THR A 410
VAL A 407
ILE A 310
 None
 1.01A 5vkqA-1v10A:
undetectable
5vkqB-1v10A:
undetectable		 5vkqA-1v10A:
14.62
5vkqB-1v10A:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		4 THR C 645
PHE C 646
VAL C 649
ILE C 602
 None
 1.25A 5vkqA-1wa5C:
2.1
5vkqB-1wa5C:
0.6		 5vkqA-1wa5C:
20.89
5vkqB-1wa5C:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		4 SER A 155
PHE A 213
HIS A 208
ILE A 174
 None
 1.06A 5vkqA-1woqA:
undetectable
5vkqB-1woqA:
undetectable		 5vkqA-1woqA:
10.16
5vkqB-1woqA:
10.16
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.
2apo PROBABLE TRNA
PSEUDOURIDINE
SYNTHASE B

(Methanocaldococcus
jannaschii) 		PF01472
(PUA)
PF01509
(TruB_N)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		4 PHE A 207
HIS A 247
PRO A 105
ILE A 104
 None
 1.09A 5vkqA-2apoA:
undetectable
5vkqB-2apoA:
undetectable		 5vkqA-2apoA:
12.35
5vkqB-2apoA:
12.35
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.
2b06 MUTT/NUDIX FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF00293
(NUDIX) 		4 THR A  63
VAL A 108
PRO A  41
ILE A  12
 None
 1.07A 5vkqA-2b06A:
undetectable
5vkqB-2b06A:
undetectable		 5vkqA-2b06A:
6.44
5vkqB-2b06A:
6.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		4 THR A 285
HIS A 314
PRO A 315
ILE A 316
 None
 0.80A 5vkqA-2bfeA:
undetectable
5vkqB-2bfeA:
undetectable		 5vkqA-2bfeA:
13.26
5vkqB-2bfeA:
13.26
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 SER A 147
VAL A 312
HIS A 297
ILE A 296
 None
 0.86A 5vkqA-2dc0A:
undetectable
5vkqB-2dc0A:
undetectable		 5vkqA-2dc0A:
13.95
5vkqB-2dc0A:
13.95
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.
2lly NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02932
(Neur_chan_memb) 		4 SER A  84
THR A  88
VAL A  91
ILE A 112
 None
 0.98A 5vkqA-2llyA:
undetectable
5vkqB-2llyA:
undetectable		 5vkqA-2llyA:
6.38
5vkqB-2llyA:
6.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mev MENGO VIRUS COAT
PROTEIN (SUBUNIT
VP3)

(Cardiovirus A) 		PF00073
(Rhv) 		4 THR 3 111
VAL 3 109
PRO 3  51
ILE 3  50
 None
 0.89A 5vkqA-2mev3:
undetectable
5vkqB-2mev3:
undetectable		 5vkqA-2mev3:
8.61
5vkqB-2mev3:
8.61
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.
2nwi HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01947
(DUF98) 		4 SER A  14
THR A  16
PRO A  95
ILE A  94
 None
 1.06A 5vkqA-2nwiA:
undetectable
5vkqB-2nwiA:
undetectable		 5vkqA-2nwiA:
6.81
5vkqB-2nwiA:
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.
2p17 PIRIN-LIKE PROTEIN

(Geobacillus
kaustophilus) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		4 SER A 153
THR A 168
HIS A 187
PRO A 185
 None
 1.21A 5vkqA-2p17A:
undetectable
5vkqB-2p17A:
undetectable		 5vkqA-2p17A:
10.35
5vkqB-2p17A:
10.35
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.
2pd3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Helicobacter
pylori) 		PF13561
(adh_short_C2) 		4 SER A 187
VAL A 219
PRO A 190
ILE A 205
 None
None
NAD  A1780 (-4.8A)
None
 1.21A 5vkqA-2pd3A:
undetectable
5vkqB-2pd3A:
undetectable		 5vkqA-2pd3A:
10.09
5vkqB-2pd3A:
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.
2voa EXODEOXYRIBONUCLEASE
III

(Archaeoglobus
fulgidus) 		PF03372
(Exo_endo_phos) 		4 SER A 139
THR A 223
PHE A 184
ILE A   4
 None
 1.14A 5vkqA-2voaA:
undetectable
5vkqB-2voaA:
undetectable		 5vkqA-2voaA:
9.06
5vkqB-2voaA:
9.06
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.
2wsj P-COUMARIC ACID
DECARBOXYLASE

(Lactobacillus
plantarum) 		PF05870
(PA_decarbox) 		4 SER A  71
THR A  75
PHE A  94
ILE A 104
 NA  A1182 (-2.9A)
IPA  A1180 ( 4.3A)
None
None
 0.97A 5vkqA-2wsjA:
undetectable
5vkqB-2wsjA:
undetectable		 5vkqA-2wsjA:
6.99
5vkqB-2wsjA:
6.99
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.
2yjg LACTATE RACEMASE
APOPROTEIN

(Thermoanaerobacterium
thermosaccharolyticum) 		PF09861
(DUF2088) 		4 SER A  79
THR A  82
VAL A  43
ILE A 236
 None
 1.25A 5vkqA-2yjgA:
undetectable
5vkqB-2yjgA:
undetectable		 5vkqA-2yjgA:
13.05
5vkqB-2yjgA:
13.05
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH) 		4 SER A 115
THR A 129
PHE A 161
PRO A 164
 None
 1.22A 5vkqA-2ynmA:
undetectable
5vkqB-2ynmA:
undetectable		 5vkqA-2ynmA:
10.32
5vkqB-2ynmA:
10.32
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.
2yz2 PUTATIVE ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0222

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 SER A 140
PHE A 131
VAL A  96
ILE A 149
 None
 1.11A 5vkqA-2yz2A:
undetectable
5vkqB-2yz2A:
undetectable		 5vkqA-2yz2A:
10.16
5vkqB-2yz2A:
10.16
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.
2z65 LYMPHOCYTE ANTIGEN
96

(Homo sapiens) 		PF02221
(E1_DerP2_DerF2) 		4 THR C 115
PHE C 104
VAL C 113
ILE C  46
 None
E55  C   1 (-4.4A)
None
E55  C   1 (-4.6A)
 1.08A 5vkqA-2z65C:
undetectable
5vkqB-2z65C:
undetectable		 5vkqA-2z65C:
5.28
5vkqB-2z65C:
5.28
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.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococcus
vulcanus;
Thermosynechococcus
vulcanus) 		PF00421
(PSII)
PF00124
(Photo_RC) 		4 SER B 365
PHE D 341
VAL D 345
PRO D 347
 None
 1.02A 5vkqA-3a0hB:
4.1
5vkqB-3a0hB:
4.1		 5vkqA-3a0hB:
15.42
5vkqB-3a0hB:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 SER A 349
THR A 353
PHE A 377
ILE A  39
 None
 1.05A 5vkqA-3acpA:
undetectable
5vkqB-3acpA:
undetectable		 5vkqA-3acpA:
13.18
5vkqB-3acpA:
13.18
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.
3b46 AMINOTRANSFERASE
BNA3

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		4 PHE A 148
HIS A 208
PRO A 210
ILE A 211
 None
 1.03A 5vkqA-3b46A:
undetectable
5vkqB-3b46A:
undetectable		 5vkqA-3b46A:
14.39
5vkqB-3b46A:
14.39
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.
3ber PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX47

(Homo sapiens) 		PF00270
(DEAD) 		4 PHE A  26
VAL A  31
PRO A  81
ILE A  82
 AMP  A 300 (-4.9A)
None
None
None
 1.19A 5vkqA-3berA:
undetectable
5vkqB-3berA:
undetectable		 5vkqA-3berA:
9.61
5vkqB-3berA:
9.61
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.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		4 THR A 196
HIS A 145
PRO A 146
ILE A 147
 EDO  A 243 (-3.0A)
None
None
None
 1.18A 5vkqA-3bkwA:
undetectable
5vkqB-3bkwA:
undetectable		 5vkqA-3bkwA:
9.81
5vkqB-3bkwA:
9.81
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.
3cgx PUTATIVE
NUCLEOTIDE-DIPHOSPHO
-SUGAR TRANSFERASE

(Desulfovibrio
alaskensis) 		PF09837
(DUF2064) 		4 SER A 212
THR A 214
PRO A 113
ILE A 112
 None
 1.22A 5vkqA-3cgxA:
undetectable
5vkqB-3cgxA:
undetectable		 5vkqA-3cgxA:
9.57
5vkqB-3cgxA:
9.57
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.
3clw CONSERVED EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF14587
(Glyco_hydr_30_2) 		4 THR A 516
PHE A 425
VAL A 462
ILE A 365
 None
 1.11A 5vkqA-3clwA:
undetectable
5vkqB-3clwA:
undetectable		 5vkqA-3clwA:
14.04
5vkqB-3clwA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddd PUTATIVE
ACETYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		4 SER A  34
PHE A  62
VAL A 167
ILE A 263
 None
 0.80A 5vkqA-3dddA:
undetectable
5vkqB-3dddA:
undetectable		 5vkqA-3dddA:
9.92
5vkqB-3dddA:
9.92
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.
3e02 UNCHARACTERIZED
PROTEIN DUF849

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		4 SER A 164
THR A 166
PHE A 168
VAL A 108
 None
 1.09A 5vkqA-3e02A:
undetectable
5vkqB-3e02A:
undetectable		 5vkqA-3e02A:
11.01
5vkqB-3e02A:
11.01
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 339
THR A 343
VAL A 347
ILE A 334
 None
 0.99A 5vkqA-3e1hA:
undetectable
5vkqB-3e1hA:
undetectable		 5vkqA-3e1hA:
14.09
5vkqB-3e1hA:
14.09
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.
3ejb BIOTIN BIOSYNTHESIS
CYTOCHROME P450-LIKE
ENZYME

(Bacillus
subtilis) 		PF00067
(p450) 		4 SER B 317
HIS B  26
PRO B  27
ILE B  28
 None
 0.61A 5vkqA-3ejbB:
undetectable
5vkqB-3ejbB:
undetectable		 5vkqA-3ejbB:
13.92
5vkqB-3ejbB:
13.92
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.
3ek2 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		4 SER A 188
VAL A 220
PRO A 191
ILE A 206
 None
 1.21A 5vkqA-3ek2A:
undetectable
5vkqB-3ek2A:
undetectable		 5vkqA-3ek2A:
10.28
5vkqB-3ek2A:
10.28
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.
3euo TYPE III PENTAKETIDE
SYNTHASE

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 339
THR A 343
VAL A 347
ILE A 334
 None
 0.98A 5vkqA-3euoA:
undetectable
5vkqB-3euoA:
undetectable		 5vkqA-3euoA:
12.20
5vkqB-3euoA:
12.20
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.
3fvc GLYCOPROTEIN GP110

(Human
gammaherpesvirus
4) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		4 SER A 314
THR A 311
HIS A  77
ILE A 307
 None
 1.06A 5vkqA-3fvcA:
undetectable
5vkqB-3fvcA:
undetectable		 5vkqA-3fvcA:
17.06
5vkqB-3fvcA:
17.06
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.
3g7p NITROGEN FIXATION
PROTEIN

(Acidithiobacillus
ferrooxidans) 		PF03270
(DUF269) 		4 SER A  85
THR A  81
VAL A  77
ILE A 106
 None
 0.82A 5vkqA-3g7pA:
undetectable
5vkqB-3g7pA:
undetectable		 5vkqA-3g7pA:
6.49
5vkqB-3g7pA:
6.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 PHE A 820
HIS A 792
PRO A 791
ILE B 687
 None
 0.92A 5vkqA-3h0gA:
3.1
5vkqB-3h0gA:
3.2		 5vkqA-3h0gA:
22.63
5vkqB-3h0gA:
22.63
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		4 THR A 426
HIS A 462
PRO A 463
ILE A 464
 None
 1.15A 5vkqA-3j09A:
2.5
5vkqB-3j09A:
2.4		 5vkqA-3j09A:
19.08
5vkqB-3j09A:
19.08
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.
3k6r PUTATIVE TRANSFERASE
PH0793

(Pyrococcus
horikoshii) 		PF02475
(Met_10) 		4 VAL A 113
HIS A  92
PRO A 110
ILE A  33
 None
 1.20A 5vkqA-3k6rA:
undetectable
5vkqB-3k6rA:
undetectable		 5vkqA-3k6rA:
11.43
5vkqB-3k6rA:
11.43
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.
3kkl PROBABLE CHAPERONE
PROTEIN HSP33

(Saccharomyces
cerevisiae) 		no annotation 4 SER A 223
PHE A 165
PRO A 201
ILE A 202
 None
 1.04A 5vkqA-3kklA:
undetectable
5vkqB-3kklA:
undetectable		 5vkqA-3kklA:
8.37
5vkqB-3kklA:
8.37
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.
3lpx DNA GYRASE, A
SUBUNIT

(Colwellia
psychrerythraea) 		PF00521
(DNA_topoisoIV) 		4 THR A 519
PHE A 217
HIS A 185
ILE A 212
 None
 1.20A 5vkqA-3lpxA:
3.4
5vkqB-3lpxA:
3.4		 5vkqA-3lpxA:
15.38
5vkqB-3lpxA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		4 THR A 230
VAL A 232
PRO A 207
ILE A 205
 None
 1.22A 5vkqA-3nvaA:
undetectable
5vkqB-3nvaA:
undetectable		 5vkqA-3nvaA:
15.79
5vkqB-3nvaA:
15.79
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.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		4 SER A 251
PHE A   2
VAL A  47
ILE A 233
 None
 1.01A 5vkqA-3rhyA:
undetectable
5vkqB-3rhyA:
undetectable		 5vkqA-3rhyA:
8.83
5vkqB-3rhyA:
8.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 SER A 144
THR A 140
PHE A   7
PRO A 138
 None
 1.20A 5vkqA-3so4A:
undetectable
5vkqB-3so4A:
undetectable		 5vkqA-3so4A:
12.87
5vkqB-3so4A:
12.87
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.
3up1 INTERLEUKIN-7
RECEPTOR SUBUNIT
ALPHA

(Homo sapiens) 		PF00041
(fn3) 		4 THR A 104
PHE A 193
VAL A 107
HIS A  33
 None
 1.08A 5vkqA-3up1A:
undetectable
5vkqB-3up1A:
undetectable		 5vkqA-3up1A:
8.85
5vkqB-3up1A:
8.85
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.
3wyz RIBONUCLEASE P
PROTEIN COMPONENT 3

(Thermococcus
kodakarensis) 		PF01876
(RNase_P_p30) 		4 SER A 178
THR A 176
PHE A 174
ILE A 198
 GOL  A 301 (-3.7A)
None
None
None
 1.23A 5vkqA-3wyzA:
undetectable
5vkqB-3wyzA:
undetectable		 5vkqA-3wyzA:
8.95
5vkqB-3wyzA:
8.95
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.
3zbq PHIKZ039

(Pseudomonas
virus phiKZ) 		no annotation 4 THR A 150
PHE A 151
VAL A 154
ILE A 112
 None
 0.90A 5vkqA-3zbqA:
undetectable
5vkqB-3zbqA:
undetectable		 5vkqA-3zbqA:
10.80
5vkqB-3zbqA:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		4 SER A  31
THR A  28
HIS A  54
ILE A  80
 None
MG  A 403 ( 3.1A)
None
None
 1.24A 5vkqA-3zq6A:
4.4
5vkqB-3zq6A:
4.4		 5vkqA-3zq6A:
10.69
5vkqB-3zq6A:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 SER A 354
THR A 308
PRO A 288
ILE A 286
 FAD  A3005 (-2.8A)
FAD  A3005 (-2.9A)
None
None
 1.00A 5vkqA-3zyvA:
undetectable
5vkqB-3zyvA:
undetectable		 5vkqA-3zyvA:
22.19
5vkqB-3zyvA:
22.19
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.
4a29 ENGINEERED
RETRO-ALDOL ENZYME
RA95.0

(synthetic
construct) 		PF00218
(IGPS) 		4 SER A  81
THR A  83
PHE A  89
ILE A 113
 None
3NK  A 299 ( 4.5A)
3NK  A 299 (-4.2A)
None
 1.23A 5vkqA-4a29A:
undetectable
5vkqB-4a29A:
undetectable		 5vkqA-4a29A:
9.70
5vkqB-4a29A:
9.70
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.
4aor TRYPSIN INHIBITOR 3

(Spinacia
oleracea) 		no annotation 4 VAL D  26
HIS D  28
PRO D  29
ILE D  30
 None
 0.85A 5vkqA-4aorD:
undetectable
5vkqB-4aorD:
undetectable		 5vkqA-4aorD:
2.29
5vkqB-4aorD:
2.29
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.
4buo NEUROTENSIN RECEPTOR
TYPE 1

(Rattus
norvegicus) 		PF00001
(7tm_1) 		4 SER A 112
THR A 156
PHE A 317
VAL A 160
 None
 1.20A 5vkqA-4buoA:
2.6
5vkqB-4buoA:
2.6		 5vkqA-4buoA:
11.86
5vkqB-4buoA:
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.
4buo NEUROTENSIN RECEPTOR
TYPE 1

(Rattus
norvegicus) 		PF00001
(7tm_1) 		4 SER A 112
THR A 156
VAL A 160
ILE A 364
 None
 1.03A 5vkqA-4buoA:
2.6
5vkqB-4buoA:
2.6		 5vkqA-4buoA:
11.86
5vkqB-4buoA:
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.
4ckk DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV) 		4 THR A 519
PHE A 217
HIS A 185
ILE A 212
 None
 1.15A 5vkqA-4ckkA:
2.6
5vkqB-4ckkA:
2.6		 5vkqA-4ckkA:
15.08
5vkqB-4ckkA:
15.08
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.
4czb NA(+)/H(+)
ANTIPORTER 1

(Methanocaldococcus
jannaschii) 		PF00999
(Na_H_Exchanger) 		4 THR A 135
VAL A 139
PRO A  30
ILE A  29
 None
 1.09A 5vkqA-4czbA:
2.0
5vkqB-4czbA:
2.0		 5vkqA-4czbA:
14.02
5vkqB-4czbA:
14.02
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.
4d3y LEGUMAIN

(Cricetulus
griseus) 		PF01650
(Peptidase_C13) 		4 SER A 270
THR A 267
VAL A 263
ILE A 191
 None
 1.15A 5vkqA-4d3yA:
undetectable
5vkqB-4d3yA:
undetectable		 5vkqA-4d3yA:
14.05
5vkqB-4d3yA:
14.05
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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		4 THR A 485
PHE A 218
HIS A 186
ILE A 213
 None
 1.01A 5vkqA-4ddqA:
4.1
5vkqB-4ddqA:
4.1		 5vkqA-4ddqA:
14.57
5vkqB-4ddqA:
14.57
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 SER P 142
PHE P 125
VAL P 129
ILE P  35
 None
 1.19A 5vkqA-4dvyP:
3.2
5vkqB-4dvyP:
3.2		 5vkqA-4dvyP:
19.83
5vkqB-4dvyP:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f53 SUSD HOMOLOG

(Bacteroides
ovatus) 		PF12741
(SusD-like) 		4 THR A 150
VAL A 147
PRO A 108
ILE A 107
 None
 1.21A 5vkqA-4f53A:
undetectable
5vkqB-4f53A:
undetectable		 5vkqA-4f53A:
14.28
5vkqB-4f53A:
14.28
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.
4fs3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH] FABI

(Staphylococcus
aureus) 		PF13561
(adh_short_C2) 		4 SER A 189
VAL A 221
PRO A 192
ILE A 207
 None
None
0WD  A 301 (-4.8A)
0WE  A 302 ( 4.8A)
 1.23A 5vkqA-4fs3A:
undetectable
5vkqB-4fs3A:
undetectable		 5vkqA-4fs3A:
9.74
5vkqB-4fs3A:
9.74
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.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1

(Saccharomyces
cerevisiae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 SER A 355
THR A 359
VAL A 362
ILE A 384
 None
 1.22A 5vkqA-4g1pA:
undetectable
5vkqB-4g1pA:
undetectable		 5vkqA-4g1pA:
14.28
5vkqB-4g1pA:
14.28
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 SER A 353
PHE A 314
VAL A 348
ILE A 377
 None
 1.21A 5vkqA-4i7iA:
undetectable
5vkqB-4i7iA:
undetectable		 5vkqA-4i7iA:
15.06
5vkqB-4i7iA:
15.06
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.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		4 THR A 148
VAL A 151
HIS A 330
ILE A 334
 None
 1.20A 5vkqA-4je5A:
undetectable
5vkqB-4je5A:
undetectable		 5vkqA-4je5A:
14.20
5vkqB-4je5A:
14.20
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.
4js5 EXODEOXYRIBONUCLEASE
I

(Escherichia
coli) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		4 THR A 190
VAL A 187
HIS A  14
ILE A  99
 None
 1.17A 5vkqA-4js5A:
0.8
5vkqB-4js5A:
0.0		 5vkqA-4js5A:
14.71
5vkqB-4js5A:
14.71
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 SER A 369
THR A 365
VAL A 362
ILE A 436
 None
 1.24A 5vkqA-4k0eA:
4.1
5vkqB-4k0eA:
4.1		 5vkqA-4k0eA:
21.67
5vkqB-4k0eA:
21.67
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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 THR A 213
PHE A 181
VAL A 217
ILE A  79
 None
 1.03A 5vkqA-4lnfA:
undetectable
5vkqB-4lnfA:
undetectable		 5vkqA-4lnfA:
14.44
5vkqB-4lnfA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lru GLYOXALASE III
(GLUTATHIONE-INDEPEN
DENT)

(Candida
albicans) 		PF01965
(DJ-1_PfpI) 		4 THR A 225
PHE A 101
VAL A 229
ILE A 160
 None
 0.95A 5vkqA-4lruA:
undetectable
5vkqB-4lruA:
undetectable		 5vkqA-4lruA:
8.30
5vkqB-4lruA:
8.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 THR B1486
PHE B1218
HIS B1186
ILE B1213
 None
 1.13A 5vkqA-4plbB:
4.2
5vkqB-4plbB:
4.3		 5vkqA-4plbB:
17.69
5vkqB-4plbB:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q34 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12697
(Abhydrolase_6) 		4 SER A 239
THR A 237
PHE A 235
ILE A 245
 None
 1.16A 5vkqA-4q34A:
undetectable
5vkqB-4q34A:
undetectable		 5vkqA-4q34A:
11.10
5vkqB-4q34A:
11.10
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.
4q3n MGS-M5

(unidentified) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A 120
THR A  78
VAL A   8
ILE A  36
 None
 1.17A 5vkqA-4q3nA:
undetectable
5vkqB-4q3nA:
undetectable		 5vkqA-4q3nA:
10.73
5vkqB-4q3nA:
10.73
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 SER A 201
THR A 199
PHE A 197
VAL A 205
 None
IMD  A 911 ( 4.2A)
GOL  A 909 (-4.5A)
IMD  A 911 ( 4.4A)
 1.24A 5vkqA-4qmeA:
3.2
5vkqB-4qmeA:
3.1		 5vkqA-4qmeA:
20.39
5vkqB-4qmeA:
20.39
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.
4xhj ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
3) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		4 THR A 584
PHE A 620
VAL A 589
ILE A 552
 None
 1.16A 5vkqA-4xhjA:
undetectable
5vkqB-4xhjA:
undetectable		 5vkqA-4xhjA:
19.28
5vkqB-4xhjA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 SER A 450
THR A 446
VAL A 442
ILE A 463
 None
 0.93A 5vkqA-4ye5A:
undetectable
5vkqB-4ye5A:
undetectable		 5vkqA-4ye5A:
16.36
5vkqB-4ye5A:
16.36
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.
4z0c TOLL-LIKE RECEPTOR
13

(Mus musculus) 		PF00560
(LRR_1)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 SER A 612
THR A 583
PRO A 587
ILE A 590
 None
 1.15A 5vkqA-4z0cA:
undetectable
5vkqB-4z0cA:
undetectable		 5vkqA-4z0cA:
17.94
5vkqB-4z0cA:
17.94
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.
4za3 RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00652
(Ricin_B_lectin) 		4 SER B  92
THR B  94
VAL B 103
ILE B 210
 None
 1.06A 5vkqA-4za3B:
undetectable
5vkqB-4za3B:
undetectable		 5vkqA-4za3B:
9.68
5vkqB-4za3B:
9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 SER I 427
THR I 421
VAL I 406
ILE I 383
 None
 1.24A 5vkqA-5b04I:
undetectable
5vkqB-5b04I:
undetectable		 5vkqA-5b04I:
18.16
5vkqB-5b04I:
18.16
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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		4 PHE A 134
VAL A 189
PRO A 317
ILE A 318
 None
 1.09A 5vkqA-5cd6A:
undetectable
5vkqB-5cd6A:
undetectable		 5vkqA-5cd6A:
15.61
5vkqB-5cd6A:
15.61
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.
5cdi CHAPERONIN 60B1

(Chlamydomonas
reinhardtii) 		PF00118
(Cpn60_TCP1) 		4 SER A 508
PHE A 100
PRO A 453
ILE A 454
 None
 0.88A 5vkqA-5cdiA:
undetectable
5vkqB-5cdiA:
undetectable		 5vkqA-5cdiA:
16.16
5vkqB-5cdiA:
16.16
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.
5cdn DNA GYRASE SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		4 THR A 486
PHE A 218
HIS A 186
ILE A 213
 THR  A 486 ( 0.8A)
PHE  A 218 ( 1.3A)
HIS  A 186 ( 1.0A)
ILE  A 213 ( 0.6A)
 1.15A 5vkqA-5cdnA:
3.2
5vkqB-5cdnA:
3.2		 5vkqA-5cdnA:
14.36
5vkqB-5cdnA:
14.36
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.
5co8 NUCLEASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 SER A  17
THR A 374
PRO A 444
ILE A 447
 None
 1.25A 5vkqA-5co8A:
undetectable
5vkqB-5co8A:
undetectable		 5vkqA-5co8A:
14.57
5vkqB-5co8A:
14.57
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.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		4 THR A 386
VAL A  76
HIS A  69
PRO A  74
 None
 1.16A 5vkqA-5e0eA:
undetectable
5vkqB-5e0eA:
undetectable		 5vkqA-5e0eA:
13.56
5vkqB-5e0eA:
13.56
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.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 SER C 198
THR C 201
PHE C 267
VAL C 203
 None
 1.07A 5vkqA-5flzC:
undetectable
5vkqB-5flzC:
undetectable		 5vkqA-5flzC:
14.18
5vkqB-5flzC:
14.18
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 PHE A 814
HIS A 786
PRO A 785
ILE B 703
 None
 0.93A 5vkqA-5ip9A:
5.6
5vkqB-5ip9A:
5.6		 5vkqA-5ip9A:
22.20
5vkqB-5ip9A:
22.20
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		4 SER A  52
THR A  66
VAL A  74
ILE A 228
 None
 0.87A 5vkqA-5j44A:
undetectable
5vkqB-5j44A:
undetectable		 5vkqA-5j44A:
20.98
5vkqB-5j44A:
20.98
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.
5m3l EXTRACELLULAR
GLOBIN-2

(Lumbricus
terrestris) 		PF00042
(Globin) 		4 THR B  37
PHE B  38
VAL B  41
ILE B 101
 None
 1.15A 5vkqA-5m3lB:
undetectable
5vkqB-5m3lB:
undetectable		 5vkqA-5m3lB:
5.85
5vkqB-5m3lB:
5.85
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.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA
METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT GAMMA

(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N)
PF02240
(MCR_gamma) 		4 SER C 119
THR C 117
VAL C 115
ILE B 337
 None
 1.10A 5vkqA-5n1qC:
undetectable
5vkqB-5n1qC:
undetectable		 5vkqA-5n1qC:
9.64
5vkqB-5n1qC:
9.64
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.
5n1t FLAVIN-BINDING
SUBUNIT OF SULFIDE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 SER A 269
THR A 267
VAL A 265
ILE A 219
 None
 1.02A 5vkqA-5n1tA:
undetectable
5vkqB-5n1tA:
undetectable		 5vkqA-5n1tA:
13.68
5vkqB-5n1tA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 SER A 513
THR A 448
PHE A 451
PRO A 465
 None
 1.17A 5vkqA-5t9gA:
undetectable
5vkqB-5t9gA:
undetectable		 5vkqA-5t9gA:
18.53
5vkqB-5t9gA:
18.53
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 SER A 711
THR A 428
PHE A 413
ILE A 448
 None
 0.99A 5vkqA-5tr0A:
3.4
5vkqB-5tr0A:
3.4		 5vkqA-5tr0A:
18.88
5vkqB-5tr0A:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vkq NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L

(Drosophila
melanogaster) 		PF00023
(Ank)
PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 PHE A1486
VAL A1489
HIS A1492
PRO A1493
ILE A1494
 PCF  A1805 (-3.2A)
PCF  A1805 (-3.8A)
PCF  A1805 ( 3.8A)
PCF  A1805 (-4.0A)
PCF  A1805 ( 4.5A)
 0.00A 5vkqA-5vkqA:
49.7
5vkqB-5vkqA:
48.6		 5vkqA-5vkqA:
100.00
5vkqB-5vkqA:
100.00
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.
5x3t RIBONUCLEASE VAPC26

(Mycobacterium
tuberculosis) 		PF01850
(PIN) 		4 SER B   6
THR B 114
PHE B 120
VAL B 133
 None
 0.99A 5vkqA-5x3tB:
undetectable
5vkqB-5x3tB:
undetectable		 5vkqA-5x3tB:
6.60
5vkqB-5x3tB:
6.60
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.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 4 SER A 128
THR A 131
HIS A  91
ILE A  85
 DGL  A 301 ( 4.0A)
None
None
None
 1.15A 5vkqA-5xniA:
undetectable
5vkqB-5xniA:
undetectable		 5vkqA-5xniA:
undetectable
5vkqB-5xniA:
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.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 4 SER A 128
THR A 131
PHE A 137
HIS A  91
 DGL  A 301 ( 4.0A)
None
None
None
 0.98A 5vkqA-5xniA:
undetectable
5vkqB-5xniA:
undetectable		 5vkqA-5xniA:
undetectable
5vkqB-5xniA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii;
Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 PHE A 815
HIS A 787
PRO A 786
ILE B 700
 None
 0.91A 5vkqA-5xogA:
5.3
5vkqB-5xogA:
3.8		 5vkqA-5xogA:
22.75
5vkqB-5xogA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1

(Saccharomyces
cerevisiae) 		no annotation 4 SER A 433
THR A 431
VAL A 449
HIS A 376
 None
 0.99A 5vkqA-5y58A:
3.2
5vkqB-5y58A:
3.2		 5vkqA-5y58A:
undetectable
5vkqB-5y58A:
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.
5z5c CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 4 THR A 215
HIS A 225
PRO A 210
ILE A 227
 MLY  A 221 ( 3.1A)
MLY  A 224 ( 4.8A)
None
None
 1.22A 5vkqA-5z5cA:
undetectable
5vkqB-5z5cA:
undetectable		 5vkqA-5z5cA:
undetectable
5vkqB-5z5cA:
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.
6br8 PROTEIN A6 HOMOLOG

(Fowlpox virus) 		no annotation 4 SER A 316
THR A 190
VAL A 193
ILE A 133
 None
 1.19A 5vkqA-6br8A:
undetectable
5vkqB-6br8A:
undetectable		 5vkqA-6br8A:
undetectable
5vkqB-6br8A:
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.
6br9 PROTEIN A6 HOMOLOG

(Fowlpox virus) 		no annotation 4 SER A 316
THR A 190
VAL A 193
ILE A 133
 None
 1.17A 5vkqA-6br9A:
undetectable
5vkqB-6br9A:
undetectable		 5vkqA-6br9A:
undetectable
5vkqB-6br9A:
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.
6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB

(Yersinia
pseudotuberculosis) 		no annotation 4 SER A 181
THR A 178
PRO A 140
ILE A 139
 SER  A 181 ( 0.0A)
THR  A 178 ( 0.8A)
PRO  A 140 ( 1.1A)
ILE  A 139 ( 0.7A)
 1.23A 5vkqA-6gefA:
undetectable
5vkqB-6gefA:
undetectable		 5vkqA-6gefA:
undetectable
5vkqB-6gefA:
undetectable