SIMILAR PATTERNS OF AMINO ACIDS FOR 1KYV_C_RBFC503

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.
1a6g MYOGLOBIN

(Physeter
catodon) 		PF00042
(Globin) 		5 ILE A 107
LEU A 104
HIS A  97
LEU A  86
ILE A 142
 HEM  A 154 ( 3.9A)
None
HEM  A 154 (-3.4A)
None
None
 1.14A 1kyvB-1a6gA:
undetectable
1kyvC-1a6gA:
undetectable		 1kyvB-1a6gA:
25.27
1kyvC-1a6gA:
25.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c41 LUMAZINE SYNTHASE

(Magnaporthe
grisea) 		PF00885
(DMRL_synthase) 		8 TRP A  25
GLY A  58
SER A  59
TRP A  60
GLU A  61
LEU A 120
HIS A 127
ILE A 131
 LMZ  A 201 (-3.5A)
LMZ  A 201 (-2.9A)
LMZ  A 201 (-2.5A)
None
LMZ  A 201 (-2.6A)
LMZ  A 201 (-3.8A)
LMZ  A 201 ( 3.8A)
LMZ  A 201 (-4.3A)
 0.59A 1kyvB-1c41A:
26.7
1kyvC-1c41A:
27.1		 1kyvB-1c41A:
47.50
1kyvC-1c41A:
47.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ejb LUMAZINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00885
(DMRL_synthase) 		6 TRP A  26
GLY A  59
SER A  60
GLU A  62
LEU A  90
ILE A 101
 INJ  A 200 (-3.9A)
INJ  A 200 (-3.3A)
INJ  A 200 (-2.8A)
INJ  A 200 (-2.9A)
INJ  A 200 (-4.2A)
INJ  A 200 (-4.5A)
 0.50A 1kyvB-1ejbA:
26.0
1kyvC-1ejbA:
26.1		 1kyvB-1ejbA:
49.10
1kyvC-1ejbA:
49.10
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.
1exb KV BETA2 PROTEIN

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 ILE A  81
LEU A  52
GLY A 323
LEU A 246
ILE A 308
 None
None
NDP  A1000 (-3.6A)
NDP  A1000 (-4.0A)
None
 1.00A 1kyvB-1exbA:
undetectable
1kyvC-1exbA:
undetectable		 1kyvB-1exbA:
19.22
1kyvC-1exbA:
19.22
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.
1f7u ARGINYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 ILE A  78
LEU A  76
GLY A  48
SER A  44
ILE A  54
 None
 1.20A 1kyvB-1f7uA:
3.4
1kyvC-1f7uA:
4.0		 1kyvB-1f7uA:
14.33
1kyvC-1f7uA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 HIS A  89
GLY A 268
GLU A 271
LEU A 263
ILE A 309
 None
 1.19A 1kyvB-1gz5A:
2.8
1kyvC-1gz5A:
3.1		 1kyvB-1gz5A:
15.20
1kyvC-1gz5A:
15.20
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.
1hom ANTENNAPEDIA PROTEIN

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		5 LEU A  40
HIS A  36
GLU A  15
LEU A  26
ILE A  45
 None
 1.24A 1kyvB-1homA:
undetectable
1kyvC-1homA:
undetectable		 1kyvB-1homA:
15.29
1kyvC-1homA:
15.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hqk 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Aquifex
aeolicus) 		PF00885
(DMRL_synthase) 		7 GLY A  55
SER A  56
TRP A  57
GLU A  58
LEU A  81
HIS A  88
ILE A  92
 None
 0.56A 1kyvB-1hqkA:
24.3
1kyvC-1hqkA:
24.2		 1kyvB-1hqkA:
37.89
1kyvC-1hqkA:
37.89
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.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 ILE A 108
GLY A  44
SER A  45
LEU A 209
ILE A  47
 None
 1.23A 1kyvB-1hylA:
undetectable
1kyvC-1hylA:
undetectable		 1kyvB-1hylA:
23.08
1kyvC-1hylA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		7 GLY A  61
SER A  62
TRP A  63
GLU A  64
LEU A  87
HIS A  94
ILE A  98
 None
 0.19A 1kyvB-1kz1A:
30.0
1kyvC-1kz1A:
29.9		 1kyvB-1kz1A:
99.37
1kyvC-1kz1A:
99.37
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.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 ILE A 124
LEU A 119
HIS A  31
LEU A 203
ILE A 169
 None
 1.23A 1kyvB-1m2wA:
2.9
1kyvC-1m2wA:
3.0		 1kyvB-1m2wA:
16.33
1kyvC-1m2wA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 289
LEU B 233
GLY B 254
SER B 250
ILE B 260
 None
 1.22A 1kyvB-1n60B:
2.5
1kyvC-1n60B:
undetectable		 1kyvB-1n60B:
12.33
1kyvC-1n60B:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF07748
(Glyco_hydro_38C) 		5 ILE D 730
LEU D 811
SER D 803
GLU D 810
ILE D 782
 None
 1.23A 1kyvB-1o7dD:
undetectable
1kyvC-1o7dD:
undetectable		 1kyvB-1o7dD:
20.77
1kyvC-1o7dD:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q7s BIT1

(Homo sapiens) 		PF01981
(PTH2) 		5 LEU A 142
HIS A  88
GLY A 154
SER A 155
LEU A  75
 None
 1.21A 1kyvB-1q7sA:
2.6
1kyvC-1q7sA:
2.6		 1kyvB-1q7sA:
25.66
1kyvC-1q7sA:
25.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ILE A 112
HIS A  17
GLY A  42
GLU A 143
ILE A 251
 None
None
RIB  A 311 (-3.4A)
RIB  A 311 (-2.5A)
None
 1.24A 1kyvB-1rk2A:
4.1
1kyvC-1rk2A:
undetectable		 1kyvB-1rk2A:
19.74
1kyvC-1rk2A:
19.74
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.
1sky F1-ATPASE

(Bacillus sp.
PS3) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ILE E 134
LEU E 135
GLY E 138
HIS E 179
ILE E 175
 None
 1.25A 1kyvB-1skyE:
3.0
1kyvC-1skyE:
2.9		 1kyvB-1skyE:
17.31
1kyvC-1skyE:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t0p INTERCELLULAR
ADHESION MOLECULE-3

(Homo sapiens) 		PF03921
(ICAM_N) 		5 ILE B  34
LEU B  36
GLY B  78
SER B  79
ILE B  65
 None
None
None
NAG  B 302 (-2.9A)
None
 1.22A 1kyvB-1t0pB:
undetectable
1kyvC-1t0pB:
undetectable		 1kyvB-1t0pB:
21.79
1kyvC-1t0pB:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1um2 ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae) 		PF05203
(Hom_end_hint)
PF05204
(Hom_end) 		5 ILE A 586
LEU A 633
HIS A 626
GLY A 496
ILE A 622
 None
 1.18A 1kyvB-1um2A:
undetectable
1kyvC-1um2A:
undetectable		 1kyvB-1um2A:
18.71
1kyvC-1um2A:
18.71
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.
1usw FERULOYL ESTERASE A

(Aspergillus
niger) 		PF01764
(Lipase_3) 		5 ILE A 105
TRP A 104
GLY A  99
LEU A 134
ILE A  48
 None
None
NAG  A1264 ( 4.8A)
None
None
 1.18A 1kyvB-1uswA:
undetectable
1kyvC-1uswA:
undetectable		 1kyvB-1uswA:
21.29
1kyvC-1uswA:
21.29
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.
1vtl TATA BINDING PROTEIN
(TBP)

(Arabidopsis
thaliana) 		PF00352
(TBP) 		5 ILE E 160
LEU E 162
GLY E 120
SER E 121
ILE E 170
 None
 1.17A 1kyvB-1vtlE:
undetectable
1kyvC-1vtlE:
undetectable		 1kyvB-1vtlE:
21.13
1kyvC-1vtlE:
21.13
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.
1wjr KIAA1617 PROTEIN

(Homo sapiens) 		PF02820
(MBT) 		5 LEU A  44
GLY A  15
SER A  16
LEU A 110
ILE A  18
 None
 1.22A 1kyvB-1wjrA:
undetectable
1kyvC-1wjrA:
undetectable		 1kyvB-1wjrA:
21.47
1kyvC-1wjrA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a7s PROBABLE
PROPIONYL-COA
CARBOXYLASE BETA
CHAIN 5

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 ILE A 318
LEU A 321
GLY A 350
LEU A 528
ILE A 524
 None
 1.14A 1kyvB-2a7sA:
undetectable
1kyvC-2a7sA:
undetectable		 1kyvB-2a7sA:
14.37
1kyvC-2a7sA:
14.37
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.
2ae8 IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Staphylococcus
aureus) 		PF00475
(IGPD) 		5 LEU A  14
HIS A  63
GLY A  30
LEU A  34
ILE A  68
 None
 1.27A 1kyvB-2ae8A:
undetectable
1kyvC-2ae8A:
undetectable		 1kyvB-2ae8A:
22.17
1kyvC-2ae8A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2asu HEPATOCYTE GROWTH
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE B 587
LEU B 511
GLY B 663
LEU B 498
ILE B 517
 None
 1.15A 1kyvB-2asuB:
undetectable
1kyvC-2asuB:
undetectable		 1kyvB-2asuB:
23.24
1kyvC-2asuB:
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.
2dc1 L-ASPARTATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		5 ILE A  78
LEU A  77
GLY A   4
LEU A  47
ILE A  70
 None
 1.23A 1kyvB-2dc1A:
3.1
1kyvC-2dc1A:
3.0		 1kyvB-2dc1A:
23.43
1kyvC-2dc1A:
23.43
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.
2j7c BETA-GLUCOSIDASE A

(Thermotoga
maritima) 		PF00232
(Glyco_hydro_1) 		5 ILE A 379
LEU A 375
SER A 436
LEU A  71
ILE A 416
 None
 1.19A 1kyvB-2j7cA:
undetectable
1kyvC-2j7cA:
undetectable		 1kyvB-2j7cA:
18.66
1kyvC-2j7cA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oix XANTHOMONAS OUTER
PROTEIN D

(Xanthomonas
euvesicatoria) 		PF02902
(Peptidase_C48) 		5 ILE A 508
TRP A 410
GLY A 471
LEU A 412
ILE A 478
 None
 1.26A 1kyvB-2oixA:
undetectable
1kyvC-2oixA:
undetectable		 1kyvB-2oixA:
22.06
1kyvC-2oixA:
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.
2os3 PEPTIDE DEFORMYLASE

(Streptococcus
pyogenes) 		PF01327
(Pep_deformylase) 		5 ILE A   8
LEU A   7
GLY A  46
LEU A  73
ILE A  78
 None
 1.00A 1kyvB-2os3A:
undetectable
1kyvC-2os3A:
undetectable		 1kyvB-2os3A:
21.74
1kyvC-2os3A:
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.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		5 ILE A  75
LEU A  74
HIS A  67
LEU A 201
ILE A 190
 None
None
SAH  A 301 (-3.9A)
None
None
 1.20A 1kyvB-2pbfA:
undetectable
1kyvC-2pbfA:
undetectable		 1kyvB-2pbfA:
21.49
1kyvC-2pbfA:
21.49
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.
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE U 108
GLY U  44
SER U  45
LEU U 209
ILE U  47
 None
 1.19A 1kyvB-2r2wU:
undetectable
1kyvC-2r2wU:
undetectable		 1kyvB-2r2wU:
21.18
1kyvC-2r2wU:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 269
GLY A 164
SER A 163
LEU A 254
ILE A 257
 None
 1.23A 1kyvB-2v6bA:
2.6
1kyvC-2v6bA:
2.5		 1kyvB-2v6bA:
22.40
1kyvC-2v6bA:
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.
2vd3 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Methanothermobacter
thermautotrophicus) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 ILE A   3
LEU A 201
GLY A  67
LEU A  87
ILE A 205
 None
 1.21A 1kyvB-2vd3A:
undetectable
1kyvC-2vd3A:
undetectable		 1kyvB-2vd3A:
23.05
1kyvC-2vd3A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 ILE A 304
GLY A 240
SER A 239
LEU A 264
ILE A 252
 None
 1.25A 1kyvB-2veoA:
3.5
1kyvC-2veoA:
2.9		 1kyvB-2veoA:
15.29
1kyvC-2veoA:
15.29
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.
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo sapiens) 		PF12330
(Haspin_kinase) 		5 ILE A 610
LEU A 657
TRP A 652
GLY A 653
LEU A 748
 None
None
None
5ID  A1800 (-3.9A)
None
 1.03A 1kyvB-2vuwA:
undetectable
1kyvC-2vuwA:
undetectable		 1kyvB-2vuwA:
18.08
1kyvC-2vuwA:
18.08
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.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)

(Archaeoglobus
fulgidus) 		PF02492
(cobW) 		5 LEU A  94
GLY A 129
GLU A 130
LEU A 103
ILE A  99
 None
 1.21A 1kyvB-2wsmA:
4.0
1kyvC-2wsmA:
2.8		 1kyvB-2wsmA:
22.87
1kyvC-2wsmA:
22.87
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.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		5 ILE A 200
LEU A 199
GLY A 278
SER A 277
GLU A 192
 None
 1.07A 1kyvB-2xmrA:
undetectable
1kyvC-2xmrA:
undetectable		 1kyvB-2xmrA:
20.76
1kyvC-2xmrA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xxl GRAM-POSITIVE
SPECIFIC SERINE
PROTEASE, ISOFORM B

(Drosophila
melanogaster) 		PF00089
(Trypsin)
PF12032
(CLIP) 		5 ILE A 242
GLY A 320
GLU A 338
LEU A 136
ILE A 158
 None
 1.12A 1kyvB-2xxlA:
undetectable
1kyvC-2xxlA:
undetectable		 1kyvB-2xxlA:
18.99
1kyvC-2xxlA:
18.99
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.
3apo DNAJ HOMOLOG
SUBFAMILY C MEMBER
10

(Mus musculus) 		PF00085
(Thioredoxin)
PF00226
(DnaJ) 		5 ILE A 261
LEU A 260
GLY A 258
LEU A 347
ILE A 343
 None
 1.18A 1kyvB-3apoA:
undetectable
1kyvC-3apoA:
2.1		 1kyvB-3apoA:
12.08
1kyvC-3apoA:
12.08
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.
3d8b FIDGETIN-LIKE
PROTEIN 1

(Homo sapiens) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 ILE A 565
LEU A 563
GLY A 451
LEU A 540
ILE A 437
 None
 1.12A 1kyvB-3d8bA:
undetectable
1kyvC-3d8bA:
undetectable		 1kyvB-3d8bA:
19.43
1kyvC-3d8bA:
19.43
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.
3e38 TWO-DOMAIN PROTEIN
CONTAINING PREDICTED
PHP-LIKE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bacteroides
vulgatus) 		PF16392
(DUF5001) 		5 HIS A 184
GLY A 111
SER A 112
LEU A 134
ILE A 114
 None
 1.21A 1kyvB-3e38A:
2.4
1kyvC-3e38A:
2.1		 1kyvB-3e38A:
19.06
1kyvC-3e38A:
19.06
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.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF13377
(Peripla_BP_3) 		5 ILE A 314
LEU A 313
GLY A 307
LEU A 333
ILE A 331
 None
 0.89A 1kyvB-3e3mA:
7.3
1kyvC-3e3mA:
7.3		 1kyvB-3e3mA:
17.93
1kyvC-3e3mA:
17.93
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.
3e9u NA/CA EXCHANGE
PROTEIN

(Drosophila
melanogaster) 		PF03160
(Calx-beta) 		5 HIS A 641
TRP A 592
GLY A 606
LEU A 624
ILE A 622
 None
 1.18A 1kyvB-3e9uA:
undetectable
1kyvC-3e9uA:
undetectable		 1kyvB-3e9uA:
23.63
1kyvC-3e9uA:
23.63
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.
3fd5 SELENIDE, WATER
DIKINASE 1

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A 373
LEU A 293
HIS A 291
LEU A 325
ILE A 271
 None
 1.24A 1kyvB-3fd5A:
undetectable
1kyvC-3fd5A:
undetectable		 1kyvB-3fd5A:
18.27
1kyvC-3fd5A:
18.27
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.
3fse TWO-DOMAIN PROTEIN
CONTAINING
DJ-1/THIJ/PFPI-LIKE
AND FERRITIN-LIKE
DOMAINS

(Trichormus
variabilis) 		PF01965
(DJ-1_PfpI)
PF09537
(DUF2383) 		5 LEU A 332
GLY A 220
LEU A 258
HIS A 254
ILE A 328
 None
 1.23A 1kyvB-3fseA:
4.6
1kyvC-3fseA:
undetectable		 1kyvB-3fseA:
21.10
1kyvC-3fseA:
21.10
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ILE A 137
LEU A 140
GLY A  64
LEU A 160
ILE A 159
 None
 1.16A 1kyvB-3gdeA:
undetectable
1kyvC-3gdeA:
undetectable		 1kyvB-3gdeA:
14.84
1kyvC-3gdeA:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gms PUTATIVE
NADPH:QUINONE
REDUCTASE

(Bacillus
thuringiensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 263
LEU A 238
GLY A 241
SER A 218
ILE A 216
 None
 1.03A 1kyvB-3gmsA:
2.3
1kyvC-3gmsA:
2.2		 1kyvB-3gmsA:
20.48
1kyvC-3gmsA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hba PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Shewanella
denitrificans) 		PF01380
(SIS) 		5 ILE A 255
LEU A 256
HIS A 286
GLY A 210
ILE A 221
 None
 1.11A 1kyvB-3hbaA:
2.5
1kyvC-3hbaA:
undetectable		 1kyvB-3hbaA:
19.40
1kyvC-3hbaA:
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.
3hid ADENYLOSUCCINATE
SYNTHETASE

(Yersinia pestis) 		PF00709
(Adenylsucc_synt) 		5 LEU A  98
GLY A  59
SER A  58
LEU A  53
ILE A  56
 None
 1.19A 1kyvB-3hidA:
2.7
1kyvC-3hidA:
2.7		 1kyvB-3hidA:
15.81
1kyvC-3hidA:
15.81
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.
3hzj RAB
GTPASE-ACTIVATING
PROTEIN 1-LIKE

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		5 ILE A 646
HIS A 633
SER A 624
LEU A 603
ILE A 606
 None
 1.22A 1kyvB-3hzjA:
undetectable
1kyvC-3hzjA:
undetectable		 1kyvB-3hzjA:
20.32
1kyvC-3hzjA:
20.32
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 ILE A  52
GLY A 373
GLU A 375
HIS A  34
ILE A 328
 None
None
None
None
SF4  A 801 ( 3.6A)
 0.98A 1kyvB-3k30A:
3.9
1kyvC-3k30A:
undetectable		 1kyvB-3k30A:
13.48
1kyvC-3k30A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k49 MRNA-BINDING PROTEIN
PUF3

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 ILE A 753
LEU A 719
SER A 714
LEU A 680
ILE A 687
 None
 1.20A 1kyvB-3k49A:
undetectable
1kyvC-3k49A:
undetectable		 1kyvB-3k49A:
19.13
1kyvC-3k49A:
19.13
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.
3l4k DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 ILE A 967
LEU A 966
GLY A 959
GLU A 962
ILE A 890
 None
 1.27A 1kyvB-3l4kA:
2.4
1kyvC-3l4kA:
undetectable		 1kyvB-3l4kA:
12.17
1kyvC-3l4kA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 HIS A 332
GLY A 365
SER A 612
GLU A 570
LEU A 422
 None
 1.24A 1kyvB-3ldrA:
undetectable
1kyvC-3ldrA:
undetectable		 1kyvB-3ldrA:
14.83
1kyvC-3ldrA:
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS
RNA-DIRECTED RNA
POLYMERASE BETA
CHAIN

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
no annotation 		5 ILE A1310
LEU A1311
GLY A1386
LEU G 544
ILE G 541
 None
 1.25A 1kyvB-3mmpA:
4.5
1kyvC-3mmpA:
4.5		 1kyvB-3mmpA:
13.42
1kyvC-3mmpA:
13.42
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.
3nyb POLY(A) RNA
POLYMERASE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		5 ILE A 474
LEU A 475
GLY A 373
LEU A 321
ILE A 324
 None
 1.19A 1kyvB-3nybA:
undetectable
1kyvC-3nybA:
undetectable		 1kyvB-3nybA:
17.37
1kyvC-3nybA:
17.37
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.
3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		5 ILE B 137
HIS B 123
GLY B 142
LEU B 147
ILE B  42
 None
 1.20A 1kyvB-3o3mB:
3.5
1kyvC-3o3mB:
3.5		 1kyvB-3o3mB:
20.11
1kyvC-3o3mB:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rb5 NA/CA EXCHANGE
PROTEIN

(Drosophila
melanogaster) 		PF03160
(Calx-beta) 		5 HIS A 641
TRP A 592
GLY A 606
LEU A 624
ILE A 622
 None
 1.18A 1kyvB-3rb5A:
undetectable
1kyvC-3rb5A:
undetectable		 1kyvB-3rb5A:
20.91
1kyvC-3rb5A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 5 HIS A 133
GLY A  41
SER A 273
HIS A 247
ILE A 248
 None
 1.24A 1kyvB-3rxyA:
undetectable
1kyvC-3rxyA:
undetectable		 1kyvB-3rxyA:
23.94
1kyvC-3rxyA:
23.94
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.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		5 ILE A 106
LEU A 109
TRP A 108
LEU A 242
ILE A 257
 None
 1.22A 1kyvB-3visA:
3.5
1kyvC-3visA:
3.5		 1kyvB-3visA:
19.61
1kyvC-3visA:
19.61
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 ILE A 121
LEU A 120
GLY A 237
LEU A 251
ILE A 212
 None
 1.21A 1kyvB-4a5qA:
undetectable
1kyvC-4a5qA:
undetectable		 1kyvB-4a5qA:
15.05
1kyvC-4a5qA:
15.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 ILE A 279
LEU A 312
GLY A 319
LEU A 361
ILE A 309
 None
 1.21A 1kyvB-4a5qA:
undetectable
1kyvC-4a5qA:
undetectable		 1kyvB-4a5qA:
15.05
1kyvC-4a5qA:
15.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cg1 CUTINASE

(Thermobifida
fusca) 		PF12740
(Chlorophyllase2) 		5 ILE A  67
LEU A  70
TRP A  69
LEU A 203
ILE A 218
 None
 1.18A 1kyvB-4cg1A:
4.3
1kyvC-4cg1A:
4.2		 1kyvB-4cg1A:
23.19
1kyvC-4cg1A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 ILE A  97
TRP A  98
GLU A 101
LEU A 157
HIS A 194
 None
 1.11A 1kyvB-4dykA:
undetectable
1kyvC-4dykA:
undetectable		 1kyvB-4dykA:
18.14
1kyvC-4dykA:
18.14
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.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 259
LEU A 260
GLY A 239
GLU A 236
ILE A 171
 None
None
None
None
CL  A 419 ( 4.8A)
 1.04A 1kyvB-4ej6A:
3.0
1kyvC-4ej6A:
2.9		 1kyvB-4ej6A:
19.34
1kyvC-4ej6A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		5 ILE A  95
LEU A  91
TRP A  96
GLU A  99
HIS A 219
 NOS  A 501 (-4.2A)
NOS  A 501 ( 4.8A)
NOS  A 501 ( 4.4A)
NOS  A 501 ( 2.8A)
NOS  A 501 (-3.5A)
 1.14A 1kyvB-4f0sA:
undetectable
1kyvC-4f0sA:
undetectable		 1kyvB-4f0sA:
16.29
1kyvC-4f0sA:
16.29
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.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 ILE C 191
LEU C 139
GLY C 129
SER C 298
ILE C 315
 None
 1.26A 1kyvB-4f4oC:
undetectable
1kyvC-4f4oC:
undetectable		 1kyvB-4f4oC:
19.32
1kyvC-4f4oC:
19.32
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.
4het HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 ILE A 371
LEU A 370
GLY A 247
LEU A 346
ILE A 344
 None
 1.07A 1kyvB-4hetA:
undetectable
1kyvC-4hetA:
undetectable		 1kyvB-4hetA:
17.78
1kyvC-4hetA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 ILE A 297
LEU A 298
GLY A 417
SER A 416
LEU A 433
 None
 1.12A 1kyvB-4i3uA:
3.6
1kyvC-4i3uA:
3.6		 1kyvB-4i3uA:
17.21
1kyvC-4i3uA:
17.21
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.
4jc5 TRANSMEMBRANE
PROTEIN 173

(Mus musculus) 		PF15009
(TMEM173) 		5 LEU A 197
GLY A 193
SER A 194
LEU A 189
ILE A 257
 None
 1.19A 1kyvB-4jc5A:
2.2
1kyvC-4jc5A:
2.4		 1kyvB-4jc5A:
20.48
1kyvC-4jc5A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrl PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
ovatus) 		PF13201
(PCMD) 		5 ILE A 372
LEU A 371
GLY A 248
LEU A 347
ILE A 345
 None
 1.14A 1kyvB-4jrlA:
undetectable
1kyvC-4jrlA:
undetectable		 1kyvB-4jrlA:
18.48
1kyvC-4jrlA:
18.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kq6 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

([Candida]
glabrata) 		PF00885
(DMRL_synthase) 		6 GLY A  60
SER A  61
GLU A  63
LEU A  91
HIS A  98
ILE A 102
 None
None
None
None
SO4  A 202 ( 4.7A)
None
 0.57A 1kyvB-4kq6A:
26.9
1kyvC-4kq6A:
27.0		 1kyvB-4kq6A:
49.44
1kyvC-4kq6A:
49.44
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		5 ILE A 152
LEU A 153
GLY A  81
LEU A 165
ILE A 168
 None
None
ADE  A 301 (-3.6A)
None
None
 1.14A 1kyvB-4l0mA:
5.2
1kyvC-4l0mA:
6.0		 1kyvB-4l0mA:
21.84
1kyvC-4l0mA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		5 ILE A 152
LEU A 153
GLY A  82
LEU A 165
ILE A 168
 None
 1.16A 1kyvB-4l0mA:
5.2
1kyvC-4l0mA:
6.0		 1kyvB-4l0mA:
21.84
1kyvC-4l0mA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p72 PHENYLALANINE--TRNA
LIGASE BETA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 LEU A 268
GLY A 322
SER A 321
LEU A 310
ILE A 271
 None
 0.76A 1kyvB-4p72A:
undetectable
1kyvC-4p72A:
undetectable		 1kyvB-4p72A:
11.34
1kyvC-4p72A:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p9f HTH-TYPE
TRANSCRIPTIONAL
REGULATOR MCBR

(Escherichia
coli) 		PF00392
(GntR)
PF07729
(FCD) 		5 ILE A 155
LEU A 158
GLU A  93
LEU A  82
ILE A  85
 None
 1.21A 1kyvB-4p9fA:
undetectable
1kyvC-4p9fA:
undetectable		 1kyvB-4p9fA:
22.90
1kyvC-4p9fA:
22.90
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.
4pxb UREIDOGLYCOLATE
HYDROLASE

(Arabidopsis
thaliana) 		PF01546
(Peptidase_M20) 		5 ILE A 255
GLY A 146
SER A 145
GLU A 452
HIS A 138
 None
None
None
None
MN  A 501 (-3.5A)
 1.07A 1kyvB-4pxbA:
3.6
1kyvC-4pxbA:
undetectable		 1kyvB-4pxbA:
18.46
1kyvC-4pxbA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4py9 PUTATIVE
EXOPOLYPHOSPHATASE-R
ELATED PROTEIN

(Bacteroides
fragilis) 		PF01368
(DHH) 		5 ILE A 153
LEU A 152
GLY A  42
SER A  39
ILE A 123
 None
 1.27A 1kyvB-4py9A:
undetectable
1kyvC-4py9A:
undetectable		 1kyvB-4py9A:
19.13
1kyvC-4py9A:
19.13
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.
4rlq BENZOATE-COENZYME A
LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 HIS A 333
SER A 404
GLU A 330
LEU A 375
ILE A 377
 3SK  A1000 ( 4.1A)
None
None
None
None
 1.24A 1kyvB-4rlqA:
3.7
1kyvC-4rlqA:
3.4		 1kyvB-4rlqA:
15.03
1kyvC-4rlqA:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 ILE A 393
LEU A 392
GLY A 382
SER A 383
ILE A  33
 None
 1.18A 1kyvB-4v1yA:
undetectable
1kyvC-4v1yA:
undetectable		 1kyvB-4v1yA:
16.17
1kyvC-4v1yA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT

(Pseudomonas
mendocina) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 LEU A 113
GLY A 208
SER A 209
GLU A 241
ILE A 162
 None
None
FAD  A 402 (-3.7A)
None
None
 1.27A 1kyvB-4wqmA:
3.4
1kyvC-4wqmA:
3.1		 1kyvB-4wqmA:
18.83
1kyvC-4wqmA:
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.
4wsb POLYMERASE PB2

(Influenza A
virus) 		PF00604
(Flu_PB2) 		5 ILE C 220
LEU C 218
HIS C 233
SER C 226
ILE C 147
 None
 0.93A 1kyvB-4wsbC:
undetectable
1kyvC-4wsbC:
undetectable		 1kyvB-4wsbC:
11.97
1kyvC-4wsbC:
11.97
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.
4x0l HAPTOGLOBIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE C 250
LEU C 198
GLY C 188
SER C 357
ILE C 374
 None
 1.23A 1kyvB-4x0lC:
undetectable
1kyvC-4x0lC:
undetectable		 1kyvB-4x0lC:
24.33
1kyvC-4x0lC:
24.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		5 ILE A1379
LEU A1378
HIS A1373
LEU A1405
ILE A1419
 None
 1.00A 1kyvB-4z3oA:
undetectable
1kyvC-4z3oA:
2.7		 1kyvB-4z3oA:
13.04
1kyvC-4z3oA:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A1260
LEU A1261
GLY A1132
LEU A1081
ILE A1311
 None
 1.27A 1kyvB-4zxiA:
2.3
1kyvC-4zxiA:
2.2		 1kyvB-4zxiA:
8.33
1kyvC-4zxiA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A1260
LEU A1261
GLY A1133
LEU A1081
ILE A1311
 None
 0.99A 1kyvB-4zxiA:
2.3
1kyvC-4zxiA:
2.2		 1kyvB-4zxiA:
8.33
1kyvC-4zxiA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		5 ILE A  83
TRP A  54
GLY A 250
SER A 249
LEU A  26
 AMP  A 304 (-3.8A)
None
None
None
None
 1.23A 1kyvB-5b8hA:
undetectable
1kyvC-5b8hA:
undetectable		 1kyvB-5b8hA:
20.48
1kyvC-5b8hA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		5 ILE A 207
LEU A 208
GLY A 185
SER A 186
GLU A 184
 None
PLP  A 301 (-3.7A)
None
None
PLP  A 301 (-2.7A)
 1.07A 1kyvB-5ce8A:
undetectable
1kyvC-5ce8A:
undetectable		 1kyvB-5ce8A:
19.16
1kyvC-5ce8A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 ILE B 164
GLY B 120
SER B 121
LEU B  87
HIS B 126
 None
SAM  B 401 (-3.3A)
SAM  B 401 (-3.1A)
None
None
 1.14A 1kyvB-5ergB:
undetectable
1kyvC-5ergB:
undetectable		 1kyvB-5ergB:
18.68
1kyvC-5ergB:
18.68
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ILE A 208
HIS A 197
GLY A  97
SER A  96
GLU A  98
 None
 1.19A 1kyvB-5exeA:
3.1
1kyvC-5exeA:
3.1		 1kyvB-5exeA:
17.81
1kyvC-5exeA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF08996
(zf-DNA_Pol) 		5 ILE C1112
HIS C1217
GLY C1092
LEU C1087
ILE C1119
 None
 1.12A 1kyvB-5exrC:
undetectable
1kyvC-5exrC:
undetectable		 1kyvB-5exrC:
9.50
1kyvC-5exrC:
9.50
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.
5hxa ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		5 HIS A  98
GLY A 278
GLU A 281
LEU A 273
ILE A 319
 None
 1.22A 1kyvB-5hxaA:
4.3
1kyvC-5hxaA:
2.3		 1kyvB-5hxaA:
15.51
1kyvC-5hxaA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		5 ILE A 451
HIS A  29
GLY A  21
SER A  20
ILE A  17
 None
None
FAD  A 601 (-3.1A)
FAD  A 601 ( 4.4A)
None
 1.17A 1kyvB-5j7xA:
2.5
1kyvC-5j7xA:
undetectable		 1kyvB-5j7xA:
15.93
1kyvC-5j7xA:
15.93
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.
5juf TRANSCRIPTIONAL
REGULATOR

(Streptococcus
thermophilus) 		PF01381
(HTH_3) 		5 ILE A  55
LEU A  52
GLY A   8
LEU A   3
ILE A  72
 None
 1.23A 1kyvB-5jufA:
undetectable
1kyvC-5jufA:
undetectable		 1kyvB-5jufA:
22.96
1kyvC-5jufA:
22.96
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 5 ILE A1114
LEU A1104
GLY A1196
SER A1197
ILE A1199
 None
 1.16A 1kyvB-5kk5A:
undetectable
1kyvC-5kk5A:
undetectable		 1kyvB-5kk5A:
7.76
1kyvC-5kk5A:
7.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhs UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR

(Mus musculus) 		no annotation 5 ILE B 108
GLY B  44
SER B  45
LEU B 209
ILE B  47
 None
 1.17A 1kyvB-5lhsB:
undetectable
1kyvC-5lhsB:
undetectable		 1kyvB-5lhsB:
21.16
1kyvC-5lhsB:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		5 HIS A  91
GLY A 271
GLU A 274
LEU A 266
ILE A 312
 None
 1.15A 1kyvB-5tvgA:
4.4
1kyvC-5tvgA:
3.9		 1kyvB-5tvgA:
14.97
1kyvC-5tvgA:
14.97
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.
5u7z ACID CERAMIDASE

(Homo sapiens) 		no annotation 5 ILE B 240
TRP B 239
GLY A 103
LEU A 127
ILE A 131
 None
 1.22A 1kyvB-5u7zB:
undetectable
1kyvC-5u7zB:
undetectable		 1kyvB-5u7zB:
13.38
1kyvC-5u7zB:
13.38
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		5 HIS A  99
GLY A 283
GLU A 286
LEU A 278
ILE A 324
 None
None
FMT  A 512 (-3.7A)
None
None
 1.13A 1kyvB-5v0tA:
4.3
1kyvC-5v0tA:
4.4		 1kyvB-5v0tA:
16.40
1kyvC-5v0tA:
16.40
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.
5xz3 PEPTIDOGLYCAN-RECOGN
ITION PROTEIN

(Apis mellifera) 		no annotation 5 ILE A  76
LEU A  75
HIS A  37
GLY A 109
ILE A  57
 None
 0.98A 1kyvB-5xz3A:
undetectable
1kyvC-5xz3A:
undetectable		 1kyvB-5xz3A:
undetectable
1kyvC-5xz3A:
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.
6cza -

(-) 		no annotation 5 ILE A 271
LEU A 279
GLY A 348
SER A 344
ILE A 354
 MGD  A 902 ( 4.6A)
None
None
None
None
 1.01A 1kyvB-6czaA:
undetectable
1kyvC-6czaA:
undetectable		 1kyvB-6czaA:
undetectable
1kyvC-6czaA:
undetectable