SIMILAR PATTERNS OF AMINO ACIDS FOR 2HDN_L_TACL6888

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.
1awb MYO-INOSITOL
MONOPHOSPHATASE

(Homo sapiens) 		PF00459
(Inositol_P) 		4 SER A 124
VAL A 126
THR A 195
ASP A  93
 None
None
None
IPD  A 281 (-3.0A)
 1.24A 2hdnJ-1awbA:
undetectable
2hdnK-1awbA:
0.0
2hdnL-1awbA:
undetectable		 2hdnJ-1awbA:
21.94
2hdnK-1awbA:
9.80
2hdnL-1awbA:
21.94
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 VAL A 233
SER A 228
ASP A 369
PRO A 249
 None
None
U1  A 522 (-3.2A)
None
 1.30A 2hdnJ-1b2hA:
undetectable
2hdnK-1b2hA:
0.0
2hdnL-1b2hA:
undetectable		 2hdnJ-1b2hA:
22.14
2hdnK-1b2hA:
7.26
2hdnL-1b2hA:
22.14
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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 VAL A  31
THR A  52
SER A  21
ASP A  55
 None
 1.18A 2hdnJ-1ddkA:
undetectable
2hdnK-1ddkA:
0.0
2hdnL-1ddkA:
undetectable		 2hdnJ-1ddkA:
20.59
2hdnK-1ddkA:
11.70
2hdnL-1ddkA:
20.59
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.
1e0t PYRUVATE KINASE

(Escherichia
coli) 		PF00224
(PK)
PF02887
(PK_C) 		4 SER A 412
VAL A 410
THR A 378
PRO A 417
 None
None
SO4  A 701 (-3.4A)
None
 1.20A 2hdnJ-1e0tA:
4.3
2hdnK-1e0tA:
0.0
2hdnL-1e0tA:
4.3		 2hdnJ-1e0tA:
22.04
2hdnK-1e0tA:
6.75
2hdnL-1e0tA:
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.
1fps FARNESYL DIPHOSPHATE
SYNTHASE

(Gallus gallus) 		PF00348
(polyprenyl_synt) 		4 SER A 282
VAL A 285
THR A 274
ASP A 261
 None
 1.27A 2hdnJ-1fpsA:
undetectable
2hdnK-1fpsA:
0.0
2hdnL-1fpsA:
undetectable		 2hdnJ-1fpsA:
21.99
2hdnK-1fpsA:
8.18
2hdnL-1fpsA:
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.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 SER A 133
VAL A  63
THR A 183
SER A 134
 ADP  A 400 (-3.1A)
ADP  A 400 (-4.0A)
ADP  A 400 ( 3.1A)
ADP  A 400 ( 4.5A)
 1.30A 2hdnJ-1h74A:
undetectable
2hdnK-1h74A:
0.0
2hdnL-1h74A:
undetectable		 2hdnJ-1h74A:
22.13
2hdnK-1h74A:
13.11
2hdnL-1h74A:
22.13
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.
1kht ADENYLATE KINASE

(Methanococcus
voltae) 		PF13207
(AAA_17) 		4 SER A  41
THR A  17
SER A  38
ASP A  90
 None
 1.11A 2hdnJ-1khtA:
3.9
2hdnK-1khtA:
0.0
2hdnL-1khtA:
3.0		 2hdnJ-1khtA:
19.83
2hdnK-1khtA:
11.92
2hdnL-1khtA:
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.
1o8p PUTATUVE
ENDO-XYLANASE

([Clostridium]
stercorarium) 		PF03422
(CBM_6) 		4 SER A  27
VAL A 145
SER A  24
ASP A  69
 None
 1.30A 2hdnJ-1o8pA:
undetectable
2hdnK-1o8pA:
undetectable
2hdnL-1o8pA:
undetectable		 2hdnJ-1o8pA:
19.94
2hdnK-1o8pA:
17.36
2hdnL-1o8pA:
19.94
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.
1pp0 VOLVATOXIN A2

(Volvariella
volvacea) 		PF01338
(Bac_thur_toxin) 		4 SER A 152
VAL A 154
SER A 139
ASP A  11
 None
 0.58A 2hdnJ-1pp0A:
undetectable
2hdnK-1pp0A:
0.0
2hdnL-1pp0A:
undetectable		 2hdnJ-1pp0A:
19.40
2hdnK-1pp0A:
13.16
2hdnL-1pp0A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 THR A 400
SER A 186
ASP A 397
PRO A 403
 None
 1.24A 2hdnJ-1qu2A:
2.4
2hdnK-1qu2A:
undetectable
2hdnL-1qu2A:
1.8		 2hdnJ-1qu2A:
17.97
2hdnK-1qu2A:
5.45
2hdnL-1qu2A:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		5 SER 3 164
VAL 3 166
THR 1  42
SER 3 116
ASP 3  50
 None
 1.11A 2hdnJ-1r1a3:
undetectable
2hdnK-1r1a3:
undetectable
2hdnL-1r1a3:
undetectable		 2hdnJ-1r1a3:
22.06
2hdnK-1r1a3:
13.33
2hdnL-1r1a3:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 SER A 364
VAL A 368
ASP A 311
PRO A 474
 None
 1.21A 2hdnJ-1vkoA:
2.6
2hdnK-1vkoA:
undetectable
2hdnL-1vkoA:
2.0		 2hdnJ-1vkoA:
22.52
2hdnK-1vkoA:
4.88
2hdnL-1vkoA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		4 SER A 100
THR A 464
SER A 110
ASP A 461
 None
 1.24A 2hdnJ-1w18A:
undetectable
2hdnK-1w18A:
undetectable
2hdnL-1w18A:
undetectable		 2hdnJ-1w18A:
20.28
2hdnK-1w18A:
6.60
2hdnL-1w18A:
20.28
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.
2aml SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		4 SER A  32
VAL A  34
ASP A 132
PRO A 115
 None
 1.25A 2hdnJ-2amlA:
undetectable
2hdnK-2amlA:
undetectable
2hdnL-2amlA:
2.8		 2hdnJ-2amlA:
23.10
2hdnK-2amlA:
6.43
2hdnL-2amlA:
23.10
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.
2drw D-AMINO ACID AMIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase) 		4 SER A 301
THR A 324
SER A 302
ASP A 321
 None
 1.28A 2hdnJ-2drwA:
undetectable
2hdnK-2drwA:
undetectable
2hdnL-2drwA:
undetectable		 2hdnJ-2drwA:
20.21
2hdnK-2drwA:
9.25
2hdnL-2drwA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dup VESICULAR
INTEGRAL-MEMBRANE
PROTEIN VIP36

(Canis lupus) 		PF03388
(Lectin_leg-like) 		4 SER A  69
VAL A  67
SER A  71
PRO A  73
 None
 1.22A 2hdnJ-2dupA:
undetectable
2hdnK-2dupA:
undetectable
2hdnL-2dupA:
undetectable		 2hdnJ-2dupA:
21.70
2hdnK-2dupA:
11.90
2hdnL-2dupA:
21.70
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		4 SER A 800
VAL A 738
THR A 631
ASP A 802
 None
 1.16A 2hdnJ-2g28A:
undetectable
2hdnK-2g28A:
undetectable
2hdnL-2g28A:
undetectable		 2hdnJ-2g28A:
18.93
2hdnK-2g28A:
3.90
2hdnL-2g28A:
18.93
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.
2jbm NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Homo sapiens) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 SER A 270
VAL A 268
SER A 250
ASP A 224
 None
 1.15A 2hdnJ-2jbmA:
undetectable
2hdnK-2jbmA:
undetectable
2hdnL-2jbmA:
2.2		 2hdnJ-2jbmA:
22.91
2hdnK-2jbmA:
9.47
2hdnL-2jbmA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kpk MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00595
(PDZ) 		4 VAL A  32
THR A 112
ASP A 109
PRO A 107
 None
 1.14A 2hdnJ-2kpkA:
undetectable
2hdnK-2kpkA:
undetectable
2hdnL-2kpkA:
undetectable		 2hdnJ-2kpkA:
17.01
2hdnK-2kpkA:
15.32
2hdnL-2kpkA:
17.01
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		4 SER A  56
VAL A  58
SER A 114
ASP A 111
 None
 1.30A 2hdnJ-2paaA:
undetectable
2hdnK-2paaA:
undetectable
2hdnL-2paaA:
undetectable		 2hdnJ-2paaA:
24.89
2hdnK-2paaA:
6.39
2hdnL-2paaA:
24.89
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.
2pce PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A 301
THR A  65
SER A 273
ASP A 100
 None
 1.20A 2hdnJ-2pceA:
2.0
2hdnK-2pceA:
undetectable
2hdnL-2pceA:
2.2		 2hdnJ-2pceA:
21.67
2hdnK-2pceA:
7.87
2hdnL-2pceA:
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.
2qob EPHRIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 SER A 803
VAL A 807
SER A 738
ASP A 739
 None
 1.25A 2hdnJ-2qobA:
undetectable
2hdnK-2qobA:
undetectable
2hdnL-2qobA:
undetectable		 2hdnJ-2qobA:
22.25
2hdnK-2qobA:
8.56
2hdnL-2qobA:
22.25
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.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		4 SER A 495
VAL A 497
THR A  43
SER A 531
 None
 0.75A 2hdnJ-2wyoA:
undetectable
2hdnK-2wyoA:
undetectable
2hdnL-2wyoA:
undetectable		 2hdnJ-2wyoA:
19.82
2hdnK-2wyoA:
4.86
2hdnL-2wyoA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 VAL A 192
THR A 241
SER A 195
ASP A 209
 None
 1.11A 2hdnJ-2xr1A:
undetectable
2hdnK-2xr1A:
undetectable
2hdnL-2xr1A:
undetectable		 2hdnJ-2xr1A:
20.68
2hdnK-2xr1A:
6.81
2hdnL-2xr1A:
20.68
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.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 SER A 803
VAL A 807
SER A 738
ASP A 739
 None
 1.19A 2hdnJ-2xyuA:
undetectable
2hdnK-2xyuA:
undetectable
2hdnL-2xyuA:
undetectable		 2hdnJ-2xyuA:
22.68
2hdnK-2xyuA:
12.77
2hdnL-2xyuA:
22.68
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 VAL A 191
THR A 241
SER A 194
ASP A 208
 None
 1.22A 2hdnJ-2ycbA:
undetectable
2hdnK-2ycbA:
undetectable
2hdnL-2ycbA:
undetectable		 2hdnJ-2ycbA:
19.88
2hdnK-2ycbA:
6.49
2hdnL-2ycbA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 SER B  69
VAL B  67
SER B  57
ASP B  91
 None
 1.12A 2hdnJ-2yntB:
undetectable
2hdnK-2yntB:
undetectable
2hdnL-2yntB:
undetectable		 2hdnJ-2yntB:
21.20
2hdnK-2yntB:
9.44
2hdnL-2yntB:
21.20
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		4 VAL A 184
THR A 393
SER A 180
PRO A 448
 None
 1.23A 2hdnJ-3a2qA:
undetectable
2hdnK-3a2qA:
undetectable
2hdnL-3a2qA:
undetectable		 2hdnJ-3a2qA:
21.96
2hdnK-3a2qA:
6.47
2hdnL-3a2qA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 VAL A 200
THR A 255
SER A 203
ASP A 217
 None
 1.12A 2hdnJ-3af5A:
undetectable
2hdnK-3af5A:
undetectable
2hdnL-3af5A:
undetectable		 2hdnJ-3af5A:
18.50
2hdnK-3af5A:
4.77
2hdnL-3af5A:
18.50
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 SER A  73
VAL A  98
SER A 123
ASP A 120
 None
 1.29A 2hdnJ-3b5qA:
undetectable
2hdnK-3b5qA:
undetectable
2hdnL-3b5qA:
undetectable		 2hdnJ-3b5qA:
21.22
2hdnK-3b5qA:
6.51
2hdnL-3b5qA:
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.
3bl5 QUEUOSINE
BIOSYNTHESIS PROTEIN
QUEC

(Bacillus
subtilis) 		PF06508
(QueC) 		4 SER A  11
VAL A   9
SER A  16
ASP A  15
 MG  A 400 (-3.0A)
None
MG  A 400 (-3.0A)
PO4  A 500 (-3.5A)
 1.22A 2hdnJ-3bl5A:
4.3
2hdnK-3bl5A:
undetectable
2hdnL-3bl5A:
undetectable		 2hdnJ-3bl5A:
21.43
2hdnK-3bl5A:
9.59
2hdnL-3bl5A:
21.43
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 SER A 256
VAL A 254
SER A 313
ASP A 278
 None
 0.92A 2hdnJ-3dqqA:
1.8
2hdnK-3dqqA:
undetectable
2hdnL-3dqqA:
1.8		 2hdnJ-3dqqA:
21.92
2hdnK-3dqqA:
8.62
2hdnL-3dqqA:
21.92
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 SER A 195
THR A 788
SER A 198
ASP A 822
 MD1  A1245 ( 4.5A)
MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
 1.18A 2hdnJ-3egwA:
undetectable
2hdnK-3egwA:
undetectable
2hdnL-3egwA:
undetectable		 2hdnJ-3egwA:
14.04
2hdnK-3egwA:
5.14
2hdnL-3egwA:
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.
3es5 PUTATIVE CAPSID
PROTEIN

(Penicillium
stoloniferum
virus F) 		no annotation 4 SER A 360
VAL A 358
THR A  82
PRO A 384
 None
 1.16A 2hdnJ-3es5A:
undetectable
2hdnK-3es5A:
undetectable
2hdnL-3es5A:
undetectable		 2hdnJ-3es5A:
19.55
2hdnK-3es5A:
8.84
2hdnL-3es5A:
19.55
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.
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 VAL H 200
THR H  22
SER H  27
ASP H  26
 None
 1.24A 2hdnJ-3f6uH:
undetectable
2hdnK-3f6uH:
undetectable
2hdnL-3f6uH:
undetectable		 2hdnJ-3f6uH:
20.81
2hdnK-3f6uH:
9.21
2hdnL-3f6uH:
20.81
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.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		4 SER A 204
VAL A 181
THR A  79
ASP A  47
 None
None
None
NAP  A 401 (-3.7A)
 1.25A 2hdnJ-3h7uA:
2.1
2hdnK-3h7uA:
undetectable
2hdnL-3h7uA:
2.4		 2hdnJ-3h7uA:
23.58
2hdnK-3h7uA:
9.51
2hdnL-3h7uA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		4 VAL A 426
THR A 420
ASP A 337
PRO A 424
 None
 1.28A 2hdnJ-3i6rA:
2.5
2hdnK-3i6rA:
undetectable
2hdnL-3i6rA:
2.2		 2hdnJ-3i6rA:
21.70
2hdnK-3i6rA:
7.65
2hdnL-3i6rA:
21.70
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 VAL A 273
THR A 316
SER A 143
ASP A 310
 None
None
None
FAD  A 490 (-3.0A)
 1.30A 2hdnJ-3ic9A:
undetectable
2hdnK-3ic9A:
undetectable
2hdnL-3ic9A:
undetectable		 2hdnJ-3ic9A:
21.60
2hdnK-3ic9A:
6.18
2hdnL-3ic9A:
21.60
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.
3kbr CYCLOHEXADIENYL
DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00497
(SBP_bac_3) 		4 SER A  51
VAL A  64
THR A  83
SER A 102
 None
 1.17A 2hdnJ-3kbrA:
undetectable
2hdnK-3kbrA:
undetectable
2hdnL-3kbrA:
undetectable		 2hdnJ-3kbrA:
20.89
2hdnK-3kbrA:
10.50
2hdnL-3kbrA:
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.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		4 SER A 150
VAL A 148
SER A 134
ASP A 129
 None
 1.08A 2hdnJ-3kd8A:
undetectable
2hdnK-3kd8A:
undetectable
2hdnL-3kd8A:
undetectable		 2hdnJ-3kd8A:
23.09
2hdnK-3kd8A:
6.17
2hdnL-3kd8A:
23.09
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.
3krb ALDOSE REDUCTASE

(Giardia
intestinalis) 		PF00248
(Aldo_ket_red) 		4 SER A 259
VAL A 200
THR A  69
ASP A  35
 None
None
None
NAP  A 400 (-3.7A)
 1.24A 2hdnJ-3krbA:
undetectable
2hdnK-3krbA:
undetectable
2hdnL-3krbA:
2.0		 2hdnJ-3krbA:
20.54
2hdnK-3krbA:
7.86
2hdnL-3krbA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kul EPHRIN TYPE-A
RECEPTOR 8

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		4 SER A 817
VAL A 821
SER A 752
ASP A 753
 None
None
None
SO4  A 910 ( 4.1A)
 1.25A 2hdnJ-3kulA:
undetectable
2hdnK-3kulA:
undetectable
2hdnL-3kulA:
undetectable		 2hdnJ-3kulA:
23.51
2hdnK-3kulA:
9.00
2hdnL-3kulA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		4 SER A  41
VAL A 110
ASP A  83
PRO A  43
 None
 1.24A 2hdnJ-3lopA:
3.0
2hdnK-3lopA:
undetectable
2hdnL-3lopA:
2.0		 2hdnJ-3lopA:
23.28
2hdnK-3lopA:
10.32
2hdnL-3lopA:
23.28
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.
3m1m ORF904

(Sulfolobus
islandicus) 		PF09250
(Prim-Pol)
PF13010
(pRN1_helical) 		4 VAL A 108
SER A 150
ASP A 152
PRO A 154
 None
 1.20A 2hdnJ-3m1mA:
undetectable
2hdnK-3m1mA:
undetectable
2hdnL-3m1mA:
undetectable		 2hdnJ-3m1mA:
21.86
2hdnK-3m1mA:
6.87
2hdnL-3m1mA:
21.86
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.
3m1y PHOSPHOSERINE
PHOSPHATASE (SERB)

(Helicobacter
pylori) 		PF00702
(Hydrolase) 		4 SER A 117
THR A  18
SER A  96
ASP A  10
 None
 1.12A 2hdnJ-3m1yA:
2.7
2hdnK-3m1yA:
undetectable
2hdnL-3m1yA:
undetectable		 2hdnJ-3m1yA:
21.99
2hdnK-3m1yA:
15.13
2hdnL-3m1yA:
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.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 SER C  72
SER C 219
ASP C 218
PRO C 143
 None
 0.94A 2hdnJ-3mg0C:
undetectable
2hdnK-3mg0C:
undetectable
2hdnL-3mg0C:
undetectable		 2hdnJ-3mg0C:
20.00
2hdnK-3mg0C:
10.81
2hdnL-3mg0C:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 SER C  72
VAL C  74
SER C 219
ASP C 218
 None
 0.68A 2hdnJ-3mg0C:
undetectable
2hdnK-3mg0C:
undetectable
2hdnL-3mg0C:
undetectable		 2hdnJ-3mg0C:
20.00
2hdnK-3mg0C:
10.81
2hdnL-3mg0C:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		4 SER A  28
VAL A  60
THR A  33
SER A  29
 None
 1.25A 2hdnJ-3njxA:
undetectable
2hdnK-3njxA:
undetectable
2hdnL-3njxA:
undetectable		 2hdnJ-3njxA:
21.74
2hdnK-3njxA:
5.93
2hdnL-3njxA:
21.74
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.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 VAL A 339
THR A 353
SER A 239
PRO A 237
 None
 1.11A 2hdnJ-3p4sA:
undetectable
2hdnK-3p4sA:
undetectable
2hdnL-3p4sA:
undetectable		 2hdnJ-3p4sA:
21.45
2hdnK-3p4sA:
7.10
2hdnL-3p4sA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4i CITRATE LYASE

(Paraburkholderia
xenovorans) 		PF03328
(HpcH_HpaI) 		4 SER A 221
VAL A 219
THR A 114
SER A 172
 None
 0.78A 2hdnJ-3r4iA:
2.7
2hdnK-3r4iA:
undetectable
2hdnL-3r4iA:
3.1		 2hdnJ-3r4iA:
23.24
2hdnK-3r4iA:
8.08
2hdnL-3r4iA:
23.24
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.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		4 SER A 118
THR A  72
SER A 119
PRO A 157
 PEG  A 368 ( 4.5A)
None
None
None
 1.24A 2hdnJ-3rf7A:
undetectable
2hdnK-3rf7A:
undetectable
2hdnL-3rf7A:
undetectable		 2hdnJ-3rf7A:
21.05
2hdnK-3rf7A:
9.19
2hdnL-3rf7A:
21.05
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.
3sig POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Thermomonospora
curvata) 		PF10021
(DUF2263) 		4 SER A 120
VAL A 157
THR A  75
ASP A 161
 None
None
AR6  A 280 (-4.4A)
None
 1.16A 2hdnJ-3sigA:
undetectable
2hdnK-3sigA:
undetectable
2hdnL-3sigA:
undetectable		 2hdnJ-3sigA:
22.93
2hdnK-3sigA:
9.52
2hdnL-3sigA:
22.93
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 SER A 667
VAL A 665
THR A 699
SER A 615
 None
 1.07A 2hdnJ-3syjA:
undetectable
2hdnK-3syjA:
undetectable
2hdnL-3syjA:
undetectable		 2hdnJ-3syjA:
15.04
2hdnK-3syjA:
3.57
2hdnL-3syjA:
15.04
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 SER A 264
THR A 257
ASP A 262
PRO A 259
 None
None
None
GOL  A 501 (-4.1A)
 1.29A 2hdnJ-3w6mA:
1.5
2hdnK-3w6mA:
undetectable
2hdnL-3w6mA:
3.5		 2hdnJ-3w6mA:
22.63
2hdnK-3w6mA:
7.79
2hdnL-3w6mA:
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.
3zyo LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4B

(Mus musculus) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13855
(LRR_8) 		4 THR A 391
SER A 293
ASP A 320
PRO A 295
 None
 1.30A 2hdnJ-3zyoA:
undetectable
2hdnK-3zyoA:
undetectable
2hdnL-3zyoA:
undetectable		 2hdnJ-3zyoA:
21.12
2hdnK-3zyoA:
7.19
2hdnL-3zyoA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bfe CELL SURFACE
GLYCOPROTEIN CD200
RECEPTOR 4

(Mus musculus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 SER A 201
VAL A 186
SER A 188
PRO A 155
 None
 1.25A 2hdnJ-4bfeA:
undetectable
2hdnK-4bfeA:
undetectable
2hdnL-4bfeA:
undetectable		 2hdnJ-4bfeA:
19.94
2hdnK-4bfeA:
12.72
2hdnL-4bfeA:
19.94
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.
4bob ERPP PROTEIN

(Borreliella
burgdorferi) 		PF02471
(OspE) 		4 SER A 101
THR A  76
SER A  79
ASP A  65
 None
 1.25A 2hdnJ-4bobA:
undetectable
2hdnK-4bobA:
undetectable
2hdnL-4bobA:
undetectable		 2hdnJ-4bobA:
18.45
2hdnK-4bobA:
12.99
2hdnL-4bobA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bsk VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 3

(Homo sapiens) 		no annotation 4 SER A  38
VAL A  40
ASP A 187
PRO A 163
 None
 1.07A 2hdnJ-4bskA:
undetectable
2hdnK-4bskA:
undetectable
2hdnL-4bskA:
undetectable		 2hdnJ-4bskA:
20.12
2hdnK-4bskA:
9.48
2hdnL-4bskA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cca SYNTAXIN-BINDING
PROTEIN 2

(Homo sapiens) 		PF00995
(Sec1) 		4 SER A 567
THR A 153
SER A 568
PRO A 150
 None
 1.23A 2hdnJ-4ccaA:
undetectable
2hdnK-4ccaA:
undetectable
2hdnL-4ccaA:
2.6		 2hdnJ-4ccaA:
19.90
2hdnK-4ccaA:
5.00
2hdnL-4ccaA:
19.90
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.
4dap SUGAR FERMENTATION
STIMULATION PROTEIN
A

(Escherichia
coli) 		PF03749
(SfsA) 		4 SER A  74
THR A  46
SER A  72
ASP A  49
 None
 1.31A 2hdnJ-4dapA:
undetectable
2hdnK-4dapA:
undetectable
2hdnL-4dapA:
2.5		 2hdnJ-4dapA:
22.69
2hdnK-4dapA:
13.66
2hdnL-4dapA:
22.69
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 SER A 217
VAL A 174
THR A 214
ASP A 177
 None
 1.21A 2hdnJ-4ehcA:
2.7
2hdnK-4ehcA:
undetectable
2hdnL-4ehcA:
2.7		 2hdnJ-4ehcA:
23.23
2hdnK-4ehcA:
10.00
2hdnL-4ehcA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 VAL A 369
THR A 307
SER A   5
ASP A   3
 None
 1.29A 2hdnJ-4gaaA:
undetectable
2hdnK-4gaaA:
undetectable
2hdnL-4gaaA:
undetectable		 2hdnJ-4gaaA:
21.05
2hdnK-4gaaA:
4.67
2hdnL-4gaaA:
21.05
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.
4i9a QUINOLINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sus scrofa) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 SER A 268
VAL A 266
SER A 248
ASP A 222
 NCN  A 301 (-3.4A)
None
NCN  A 301 (-2.9A)
NCN  A 301 (-3.3A)
 1.09A 2hdnJ-4i9aA:
2.3
2hdnK-4i9aA:
undetectable
2hdnL-4i9aA:
2.3		 2hdnJ-4i9aA:
22.42
2hdnK-4i9aA:
7.94
2hdnL-4i9aA:
22.42
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A 363
THR A  46
ASP A  44
PRO A 332
 None
 1.18A 2hdnJ-4il2A:
undetectable
2hdnK-4il2A:
undetectable
2hdnL-4il2A:
undetectable		 2hdnJ-4il2A:
21.92
2hdnK-4il2A:
7.27
2hdnL-4il2A:
21.92
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.
4io1 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Francisella
tularensis) 		PF06026
(Rib_5-P_isom_A) 		4 SER A  58
VAL A  32
SER A  59
ASP A  61
 None
 1.09A 2hdnJ-4io1A:
undetectable
2hdnK-4io1A:
undetectable
2hdnL-4io1A:
undetectable		 2hdnJ-4io1A:
23.44
2hdnK-4io1A:
10.42
2hdnL-4io1A:
23.44
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.
4jat ALPHA-PYRONE
SYNTHESIS POLYKETIDE
SYNTHASE-LIKE PKS11

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 312
VAL A 106
SER A 138
PRO A 341
 PLM  A 400 (-2.5A)
None
PLM  A 400 (-2.9A)
PLM  A 400 ( 4.5A)
 1.20A 2hdnJ-4jatA:
undetectable
2hdnK-4jatA:
undetectable
2hdnL-4jatA:
undetectable		 2hdnJ-4jatA:
21.83
2hdnK-4jatA:
7.83
2hdnL-4jatA:
21.83
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.
4jja HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		4 VAL A  24
THR A 193
ASP A 159
PRO A 161
 None
 1.26A 2hdnJ-4jjaA:
undetectable
2hdnK-4jjaA:
undetectable
2hdnL-4jjaA:
undetectable		 2hdnJ-4jjaA:
20.85
2hdnK-4jjaA:
8.58
2hdnL-4jjaA:
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		4 SER A 437
VAL A 439
THR A 419
ASP A 393
 None
 1.01A 2hdnJ-4lm8A:
undetectable
2hdnK-4lm8A:
undetectable
2hdnL-4lm8A:
undetectable		 2hdnJ-4lm8A:
19.21
2hdnK-4lm8A:
4.82
2hdnL-4lm8A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lzp PUTATIVE
UNCHARACTERIZED
PROTEIN

(Brucella
melitensis) 		no annotation 4 SER B 248
VAL B 244
THR B 222
SER B 250
 None
 1.25A 2hdnJ-4lzpB:
undetectable
2hdnK-4lzpB:
undetectable
2hdnL-4lzpB:
2.8		 2hdnJ-4lzpB:
17.70
2hdnK-4lzpB:
14.78
2hdnL-4lzpB:
17.70
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.
4oah MITOCHONDRIAL
DYNAMIC PROTEIN
MID51

(Mus musculus) 		PF03281
(Mab-21) 		4 VAL A 196
THR A 346
SER A 189
ASP A 192
 None
None
SO4  A 501 (-2.5A)
None
 1.29A 2hdnJ-4oahA:
undetectable
2hdnK-4oahA:
undetectable
2hdnL-4oahA:
undetectable		 2hdnJ-4oahA:
23.20
2hdnK-4oahA:
8.42
2hdnL-4oahA:
23.20
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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		4 SER X  33
VAL X  31
THR X 299
SER X 257
 None
 0.91A 2hdnJ-4pkaX:
undetectable
2hdnK-4pkaX:
undetectable
2hdnL-4pkaX:
undetectable		 2hdnJ-4pkaX:
22.72
2hdnK-4pkaX:
8.52
2hdnL-4pkaX:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pl7 ACTIN,THYMOSIN
BETA-4

(Homo sapiens;
Komagataella
phaffii) 		PF00022
(Actin)
PF01290
(Thymosin) 		4 SER A 344
THR A 409
ASP A  25
PRO A  27
 None
 1.22A 2hdnJ-4pl7A:
3.6
2hdnK-4pl7A:
undetectable
2hdnL-4pl7A:
2.4		 2hdnJ-4pl7A:
21.51
2hdnK-4pl7A:
7.18
2hdnL-4pl7A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		4 SER A 215
THR A 132
SER A 187
ASP A 136
 None
 0.99A 2hdnJ-4pz2A:
undetectable
2hdnK-4pz2A:
undetectable
2hdnL-4pz2A:
undetectable		 2hdnJ-4pz2A:
23.28
2hdnK-4pz2A:
5.72
2hdnL-4pz2A:
23.28
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 SER A 736
VAL A 693
ASP A 731
PRO A 690
 None
 1.26A 2hdnJ-4r04A:
2.2
2hdnK-4r04A:
undetectable
2hdnL-4r04A:
2.1		 2hdnJ-4r04A:
10.53
2hdnK-4r04A:
2.67
2hdnL-4r04A:
10.53
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.
4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF16819
(DUF5074)
PF16820
(PKD_3) 		4 SER A  48
VAL A  50
SER A 114
ASP A  97
 7PE  A 502 ( 4.5A)
None
7PE  A 502 ( 3.7A)
7PE  A 502 (-3.5A)
 1.03A 2hdnJ-4r5oA:
undetectable
2hdnK-4r5oA:
undetectable
2hdnL-4r5oA:
undetectable		 2hdnJ-4r5oA:
22.39
2hdnK-4r5oA:
8.04
2hdnL-4r5oA:
22.39
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.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		4 SER A  95
VAL A  98
THR A 159
PRO A  88
 None
 1.09A 2hdnJ-4rxmA:
3.0
2hdnK-4rxmA:
undetectable
2hdnL-4rxmA:
2.5		 2hdnJ-4rxmA:
22.16
2hdnK-4rxmA:
8.75
2hdnL-4rxmA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 4 VAL A  32
THR A  53
SER A  22
ASP A  56
 None
 1.29A 2hdnJ-4ubqA:
undetectable
2hdnK-4ubqA:
undetectable
2hdnL-4ubqA:
undetectable		 2hdnJ-4ubqA:
20.31
2hdnK-4ubqA:
13.07
2hdnL-4ubqA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 4 SER B 439
VAL B 441
SER B 436
ASP B 410
 None
 1.16A 2hdnJ-4xeyB:
undetectable
2hdnK-4xeyB:
undetectable
2hdnL-4xeyB:
undetectable		 2hdnJ-4xeyB:
22.40
2hdnK-4xeyB:
8.82
2hdnL-4xeyB:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 4 SER A  33
VAL A  31
SER A  21
ASP A  55
 None
 1.24A 2hdnJ-4zejA:
undetectable
2hdnK-4zejA:
undetectable
2hdnL-4zejA:
undetectable		 2hdnJ-4zejA:
19.88
2hdnK-4zejA:
11.21
2hdnL-4zejA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 THR A  26
SER A  66
ASP A  81
PRO A  83
 MG  A 502 ( 3.1A)
None
MG  A 502 (-3.7A)
MG  A 502 ( 4.1A)
 0.56A 2hdnJ-4zv4A:
41.8
2hdnK-4zv4A:
undetectable
2hdnL-4zv4A:
41.7		 2hdnJ-4zv4A:
84.41
2hdnK-4zv4A:
64.44
2hdnL-4zv4A:
84.41
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.
5ax7 PYRUVYL TRANSFERASE
1

(Schizosaccharomyces
pombe) 		PF04230
(PS_pyruv_trans) 		4 SER A 310
VAL A 304
SER A 311
ASP A 313
 None
 1.30A 2hdnJ-5ax7A:
2.6
2hdnK-5ax7A:
undetectable
2hdnL-5ax7A:
2.7		 2hdnJ-5ax7A:
20.97
2hdnK-5ax7A:
9.35
2hdnL-5ax7A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 VAL A 430
THR A 202
ASP A 208
PRO A 212
 None
 1.24A 2hdnJ-5bn4A:
undetectable
2hdnK-5bn4A:
undetectable
2hdnL-5bn4A:
3.9		 2hdnJ-5bn4A:
20.87
2hdnK-5bn4A:
9.18
2hdnL-5bn4A:
20.87
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.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 4 SER B 514
SER B 501
ASP B 495
PRO B 499
 None
 1.16A 2hdnJ-5cwwB:
undetectable
2hdnK-5cwwB:
undetectable
2hdnL-5cwwB:
undetectable		 2hdnJ-5cwwB:
20.35
2hdnK-5cwwB:
4.77
2hdnL-5cwwB:
20.35
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.
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 SER A 237
VAL A 200
THR A  91
ASP A  89
 SER  A 237 ( 0.0A)
VAL  A 200 ( 0.6A)
THR  A  91 ( 0.8A)
ASP  A  89 ( 0.6A)
 1.28A 2hdnJ-5ep8A:
2.4
2hdnK-5ep8A:
undetectable
2hdnL-5ep8A:
2.6		 2hdnJ-5ep8A:
21.43
2hdnK-5ep8A:
9.45
2hdnL-5ep8A:
21.43
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 SER A 713
THR A 730
SER A 618
ASP A 617
 None
 1.19A 2hdnJ-5favA:
2.3
2hdnK-5favA:
undetectable
2hdnL-5favA:
undetectable		 2hdnJ-5favA:
19.38
2hdnK-5favA:
4.28
2hdnL-5favA:
19.38
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA

(Escherichia
coli) 		PF09481
(CRISPR_Cse1) 		4 SER A 311
VAL A 315
SER A 306
PRO A 305
 None
 1.21A 2hdnJ-5h9fA:
undetectable
2hdnK-5h9fA:
undetectable
2hdnL-5h9fA:
undetectable		 2hdnJ-5h9fA:
20.15
2hdnK-5h9fA:
7.87
2hdnL-5h9fA:
20.15
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.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		4 SER A 156
VAL A 154
ASP A 197
PRO A 181
 None
 1.10A 2hdnJ-5iz1A:
undetectable
2hdnK-5iz1A:
undetectable
2hdnL-5iz1A:
undetectable		 2hdnJ-5iz1A:
21.90
2hdnK-5iz1A:
7.21
2hdnL-5iz1A:
21.90
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.
5jgy ALDOSE REDUCTASE,
AKR4C13

(Zea mays) 		PF00248
(Aldo_ket_red) 		4 SER A 254
VAL A 210
THR A  85
ASP A  54
 None
None
None
6KB  A 401 (-3.7A)
 1.25A 2hdnJ-5jgyA:
2.2
2hdnK-5jgyA:
undetectable
2hdnL-5jgyA:
2.4		 2hdnJ-5jgyA:
21.57
2hdnK-5jgyA:
9.96
2hdnL-5jgyA:
21.57
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.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		4 SER A 242
THR A 176
SER A 239
ASP A 238
 None
 1.20A 2hdnJ-5l8vA:
undetectable
2hdnK-5l8vA:
undetectable
2hdnL-5l8vA:
undetectable		 2hdnJ-5l8vA:
23.38
2hdnK-5l8vA:
11.44
2hdnL-5l8vA:
23.38
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 SER A 775
VAL A 773
THR A  54
SER A 779
 None
 0.99A 2hdnJ-5m2nA:
undetectable
2hdnK-5m2nA:
undetectable
2hdnL-5m2nA:
undetectable		 2hdnJ-5m2nA:
18.83
2hdnK-5m2nA:
4.78
2hdnL-5m2nA:
18.83
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 4 VAL C 372
THR C 183
SER C 368
ASP C 369
 None
 1.28A 2hdnJ-5mg5C:
undetectable
2hdnK-5mg5C:
undetectable
2hdnL-5mg5C:
undetectable		 2hdnJ-5mg5C:
14.63
2hdnK-5mg5C:
22.39
2hdnL-5mg5C:
14.63
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.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		4 SER E  69
VAL E  67
SER E  57
ASP E  91
 None
 1.28A 2hdnJ-5mmdE:
undetectable
2hdnK-5mmdE:
undetectable
2hdnL-5mmdE:
undetectable		 2hdnJ-5mmdE:
22.49
2hdnK-5mmdE:
10.04
2hdnL-5mmdE:
22.49
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.
5o8o MITOCHONDRIAL IMPORT
RECEPTOR SUBUNIT
TOM40

(Neurospora
crassa) 		PF01459
(Porin_3) 		4 SER A 222
VAL A 220
SER A 234
ASP A 248
 None
 0.86A 2hdnJ-5o8oA:
undetectable
2hdnK-5o8oA:
undetectable
2hdnL-5o8oA:
undetectable		 2hdnJ-5o8oA:
21.39
2hdnK-5o8oA:
10.64
2hdnL-5o8oA:
21.39
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.
5ubz ANTI-HIV1 GP120 MAB
1E12 FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 4 SER H  52
THR H  73
SER H  52
ASP H  52
 None
 1.14A 2hdnJ-5ubzH:
undetectable
2hdnK-5ubzH:
undetectable
2hdnL-5ubzH:
undetectable		 2hdnJ-5ubzH:
13.65
2hdnK-5ubzH:
22.22
2hdnL-5ubzH:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		4 SER A  47
VAL A  45
SER A  50
ASP A  68
 None
 1.17A 2hdnJ-5x7sA:
undetectable
2hdnK-5x7sA:
undetectable
2hdnL-5x7sA:
undetectable		 2hdnJ-5x7sA:
13.64
2hdnK-5x7sA:
3.65
2hdnL-5x7sA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 VAL A  71
THR A 453
SER A 113
PRO A 236
 None
 1.13A 2hdnJ-5xfaA:
2.4
2hdnK-5xfaA:
undetectable
2hdnL-5xfaA:
undetectable		 2hdnJ-5xfaA:
20.27
2hdnK-5xfaA:
5.48
2hdnL-5xfaA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zvt CORE PROTEIN VP6

(Aquareovirus C) 		no annotation 4 SER U 289
VAL U 293
THR U  38
ASP U 141
 None
 1.25A 2hdnJ-5zvtU:
undetectable
2hdnK-5zvtU:
undetectable
2hdnL-5zvtU:
undetectable		 2hdnJ-5zvtU:
14.02
2hdnK-5zvtU:
17.11
2hdnL-5zvtU:
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.
6am0 KLLA0A01474P
KLLA0F23980P

(Kluyveromyces
lactis) 		no annotation 4 SER A  35
THR C 363
ASP A  33
PRO A  31
 None
 1.00A 2hdnJ-6am0A:
undetectable
2hdnK-6am0A:
undetectable
2hdnL-6am0A:
undetectable		 2hdnJ-6am0A:
14.83
2hdnK-6am0A:
14.29
2hdnL-6am0A:
14.83
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.
6dkh L-IDONATE
5-DEHYDROGENASE
(NAD(P)(+))

(Escherichia
coli) 		no annotation 4 VAL A 202
THR A 251
SER A 176
PRO A 221
 None
 1.26A 2hdnJ-6dkhA:
undetectable
2hdnK-6dkhA:
undetectable
2hdnL-6dkhA:
undetectable		 2hdnJ-6dkhA:
11.04
2hdnK-6dkhA:
15.66
2hdnL-6dkhA:
11.04
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 4 SER A  55
VAL A 102
SER A  54
ASP A  50
 None
None
None
NH4  A 505 (-2.8A)
 1.10A 2hdnJ-6eu6A:
undetectable
2hdnK-6eu6A:
undetectable
2hdnL-6eu6A:
undetectable		 2hdnJ-6eu6A:
12.46
2hdnK-6eu6A:
15.79
2hdnL-6eu6A:
12.46