SIMILAR PATTERNS OF AMINO ACIDS FOR 4YVP_B_GBMB402_1

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.
1a04 NITRATE/NITRITE
RESPONSE REGULATOR
PROTEIN NARL

(Escherichia
coli) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 LEU A  11
VAL A  34
ILE A  26
LEU A 107
LEU A 116
 None
 1.35A 4yvpB-1a04A:
2.2		 4yvpB-1a04A:
21.59
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 VAL E 204
ILE E 231
TRP E 299
LEU E 301
LEU E 221
 None
 1.38A 4yvpB-1cziE:
undetectable		 4yvpB-1cziE:
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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 TYR C 468
VAL A  69
ILE C 397
LEU C 451
LEU C 455
 None
 1.20A 4yvpB-1d7wC:
undetectable		 4yvpB-1d7wC:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1epv ALANINE RACEMASE

(Geobacillus
stearothermophilus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 128
VAL A 149
ILE A 152
HIS A 200
LEU A  83
 KCX  A 129 ( 3.6A)
None
None
None
None
 1.32A 4yvpB-1epvA:
5.6		 4yvpB-1epvA:
21.59
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		5 TYR A 268
LEU A 320
VAL A  32
ILE A  38
LEU A 283
 None
 1.38A 4yvpB-1fcuA:
7.7		 4yvpB-1fcuA:
22.51
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		5 TYR A 268
TYR A 319
VAL A  32
ILE A  38
LEU A 287
 None
 1.38A 4yvpB-1fcuA:
7.7		 4yvpB-1fcuA:
22.51
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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 LEU A 297
VAL A 283
ILE A 282
LEU A 259
LEU A 275
 None
 1.20A 4yvpB-1hkwA:
6.8		 4yvpB-1hkwA:
21.38
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.
1jr2 UROPORPHYRINOGEN-III
SYNTHASE

(Homo sapiens) 		PF02602
(HEM4) 		5 LEU A  74
TRP A  83
ILE A 110
LEU A 140
LEU A  59
 None
 1.22A 4yvpB-1jr2A:
undetectable		 4yvpB-1jr2A:
22.57
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.
1muu GDP-MANNOSE
6-DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 TYR A 191
LEU A  19
HIS A  24
ILE A   5
LEU A 186
 None
 1.33A 4yvpB-1muuA:
undetectable		 4yvpB-1muuA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		5 LEU A 229
VAL A 123
ILE A 177
LEU A 220
LEU A 219
 None
 1.27A 4yvpB-1p8rA:
undetectable		 4yvpB-1p8rA:
24.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TYR A  55
TRP A  86
HIS A 117
ILE A 129
ASN A 167
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
None
NDP  A1003 (-3.4A)
 0.44A 4yvpB-1q5mA:
53.1		 4yvpB-1q5mA:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TRP A 227
 NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
NDP  A1003 (-3.4A)
None
 0.70A 4yvpB-1q5mA:
53.1		 4yvpB-1q5mA:
80.12
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.
1q8i DNA POLYMERASE II

(Escherichia
coli) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 170
VAL A 153
ILE A 220
LEU A 205
LEU A 233
 None
 1.26A 4yvpB-1q8iA:
undetectable		 4yvpB-1q8iA:
18.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 LEU A  54
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 None
 0.62A 4yvpB-1ralA:
41.4		 4yvpB-1ralA:
69.55
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 TYR A 578
LEU A 594
TYR A 595
LEU A 188
LEU A 186
 None
 1.30A 4yvpB-1s5jA:
undetectable		 4yvpB-1s5jA:
18.29
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 LEU A 237
TYR A 236
VAL A 223
ILE A 183
LEU A 177
 None
 1.13A 4yvpB-1tmoA:
undetectable		 4yvpB-1tmoA:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zgd CHALCONE REDUCTASE

(Medicago sativa) 		PF00248
(Aldo_ket_red) 		5 TYR A  58
TRP A  89
HIS A 120
ILE A 134
ASN A 167
 NAP  A 755 (-3.9A)
None
NAP  A 755 (-4.2A)
None
NAP  A 755 (-3.3A)
 1.16A 4yvpB-1zgdA:
40.4		 4yvpB-1zgdA:
39.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		5 TYR A  60
TRP A  90
HIS A 121
ASN A 167
LEU A 295
 BCT  A1322 ( 4.4A)
None
BCT  A1322 ( 3.9A)
NDP  A1321 (-3.3A)
NDP  A1321 (-4.8A)
 0.55A 4yvpB-2bgsA:
40.2		 4yvpB-2bgsA:
34.59
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.
2cvt RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE CHAIN 1

(Saccharomyces
cerevisiae) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 TYR A 143
HIS A  87
VAL A 136
ILE A 135
LEU A 156
 None
 1.13A 4yvpB-2cvtA:
3.4		 4yvpB-2cvtA:
16.20
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.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		5 LEU X 429
HIS X 467
ILE X 459
ASN X 496
LEU X 499
 None
 1.14A 4yvpB-2epkX:
9.9		 4yvpB-2epkX:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 None
None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
NAP  A1001 (-3.1A)
 0.23A 4yvpB-2fvlA:
52.6		 4yvpB-2fvlA:
82.97
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.
2id0 EXORIBONUCLEASE 2

(Escherichia
coli) 		PF00575
(S1)
PF00773
(RNB)
PF08206
(OB_RNB) 		5 LEU A 282
HIS A 508
ILE A 515
ASN A 507
LEU A 404
 None
 1.20A 4yvpB-2id0A:
undetectable		 4yvpB-2id0A:
18.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  55
TRP A  86
HIS A 117
ASN A 167
TRP A 227
 FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
NAP  A   1 (-3.3A)
FFA  A   3 (-4.0A)
 0.74A 4yvpB-2ipfA:
52.3		 4yvpB-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		10 TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
ASN A 167
HIS A 222
TRP A 227
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
NAP  A   1 (-3.1A)
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.62A 4yvpB-2ipjA:
54.7		 4yvpB-2ipjA:
97.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  48
TRP A  79
HIS A 110
ASN A 160
LEU A 300
 2CL  A 317 ( 4.5A)
None
2CL  A 317 ( 3.8A)
NAP  A 316 (-3.4A)
None
 1.07A 4yvpB-2is7A:
47.7		 4yvpB-2is7A:
48.77
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.
2own PUTATIVE
OLEOYL-[ACYL-CARRIER
PROTEIN]
THIOESTERASE

(Lactobacillus
plantarum) 		PF01643
(Acyl-ACP_TE) 		5 LEU A  30
HIS A 237
TRP A 253
LEU A 191
LEU A 196
 None
 1.17A 4yvpB-2ownA:
undetectable		 4yvpB-2ownA:
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.
2qw5 XYLOSE
ISOMERASE-LIKE TIM
BARREL

(Trichormus
variabilis) 		PF01261
(AP_endonuc_2) 		5 LEU A 328
VAL A 270
ILE A 269
LEU A 255
LEU A 260
 None
 1.31A 4yvpB-2qw5A:
8.8		 4yvpB-2qw5A:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rmx TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2) 		5 LEU A 107
VAL A 105
ILE A  97
LEU A  85
LEU A  88
 None
 1.37A 4yvpB-2rmxA:
undetectable		 4yvpB-2rmxA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2taa TAKA-AMYLASE A

(Aspergillus
oryzae) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 TRP A  61
HIS A 296
ILE A 228
ASN A 295
LEU A 232
 None
 1.31A 4yvpB-2taaA:
7.3		 4yvpB-2taaA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 621
VAL A 495
ILE A 500
LEU A 526
LEU A 527
 None
 1.28A 4yvpB-2va8A:
undetectable		 4yvpB-2va8A:
20.03
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.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 LEU A 464
VAL A 518
ILE A 514
TRP A 454
LEU A 440
 None
 1.30A 4yvpB-2w92A:
4.8		 4yvpB-2w92A:
18.39
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.
2wzr POLYPROTEIN

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		5 LEU 2 179
VAL 2 107
ILE 2 158
LEU 2 140
LEU 2 122
 None
 1.34A 4yvpB-2wzr2:
undetectable		 4yvpB-2wzr2:
20.94
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.
2ypf AVRBS3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		5 LEU A 317
HIS A 321
VAL A 328
ILE A 331
LEU A 347
 None
 1.31A 4yvpB-2ypfA:
undetectable		 4yvpB-2ypfA:
19.10
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.
2ypf AVRBS3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		5 LEU A 657
HIS A 661
VAL A 668
ILE A 671
LEU A 687
 None
 1.21A 4yvpB-2ypfA:
undetectable		 4yvpB-2ypfA:
19.10
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.
2z66 VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 4

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU A 564
TRP A 593
ILE A 594
LEU A 549
LEU A 574
 None
 1.36A 4yvpB-2z66A:
undetectable		 4yvpB-2z66A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU A 367
VAL A 343
ILE A 341
LEU A 412
LEU A 389
 None
 1.15A 4yvpB-2z7xA:
undetectable		 4yvpB-2z7xA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 367
VAL A 343
ILE A 341
LEU A 412
LEU A 389
 None
PCJ  A   1 (-4.8A)
PCJ  A   1 ( 4.6A)
None
None
 1.16A 4yvpB-2z81A:
undetectable		 4yvpB-2z81A:
19.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  26
TYR A  58
TRP A  89
ASN A 170
LEU A 311
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
None
NAP  A 327 (-3.6A)
None
 0.51A 4yvpB-3cavA:
49.0		 4yvpB-3cavA:
58.66
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A  61
TYR A  55
VAL A  70
ILE A  71
LEU A  45
 None
 1.35A 4yvpB-3ec7A:
undetectable		 4yvpB-3ec7A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		5 LEU A 243
VAL A 327
ILE A 330
LEU A 295
LEU A  10
 None
 1.32A 4yvpB-3fqdA:
undetectable		 4yvpB-3fqdA:
17.43
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.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		5 LEU A 621
TYR A 617
VAL A 375
LEU A 344
LEU A 354
 None
 1.25A 4yvpB-3fqdA:
undetectable		 4yvpB-3fqdA:
17.43
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 LEU A 464
VAL A 518
ILE A 514
TRP A 454
LEU A 440
 None
 1.32A 4yvpB-3gdbA:
3.6		 4yvpB-3gdbA:
15.91
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.
3gse MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Yersinia pestis) 		PF00425
(Chorismate_bind) 		5 LEU A 253
VAL A 409
ILE A 414
ASN A 236
LEU A 445
 None
 1.35A 4yvpB-3gseA:
undetectable		 4yvpB-3gseA:
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.
3h4q PUTATIVE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00583
(Acetyltransf_1) 		5 LEU A  51
VAL A  53
ILE A  60
LEU A  39
LEU A  14
 None
 1.06A 4yvpB-3h4qA:
undetectable		 4yvpB-3h4qA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TYR A  48
TRP A  79
HIS A 110
ASN A 155
 ACT  A 501 ( 4.0A)
ACT  A 501 ( 4.3A)
None
ACT  A 501 ( 4.0A)
NAP  A 401 (-3.4A)
 0.38A 4yvpB-3h7rA:
41.5		 4yvpB-3h7rA:
37.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 TYR A  52
TRP A  83
HIS A 114
ILE A 126
ASN A 159
 ACT  A 501 ( 4.4A)
None
ACT  A 501 ( 3.8A)
None
NAP  A 401 (-3.3A)
 0.66A 4yvpB-3h7uA:
42.0		 4yvpB-3h7uA:
39.55
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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 170
VAL A  84
ILE A  88
LEU A 159
LEU A 164
 None
 1.32A 4yvpB-3ic9A:
undetectable		 4yvpB-3ic9A:
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.
3ipo PUTATIVE THIOSULFATE
SULFURTRANSFERASE
YNJE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 LEU A 120
VAL A  99
ILE A  43
ASN A  85
LEU A  84
 None
 1.27A 4yvpB-3ipoA:
undetectable		 4yvpB-3ipoA:
21.93
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.
3j7y MS30

(Homo sapiens) 		PF00829
(Ribosomal_L21p) 		5 LEU s 401
TYR s 402
VAL s 417
ILE s 421
LEU s 177
 None
 1.33A 4yvpB-3j7ys:
undetectable		 4yvpB-3j7ys:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 TRP A  86
HIS A 117
ASN A 167
TRP A 227
LEU A 306
 None
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.3A)
MRD  A 328 (-4.0A)
MRD  A 328 ( 4.3A)
 0.62A 4yvpB-3ln3A:
51.1		 4yvpB-3ln3A:
66.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TYR A  55
TRP A  86
HIS A 117
ASN A 167
LEU A 306
 MLY  A  25 (-3.6A)
NAD  A 327 ( 4.7A)
None
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.3A)
MRD  A 328 ( 4.3A)
 0.46A 4yvpB-3ln3A:
51.1		 4yvpB-3ln3A:
66.87
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.
3nhm RESPONSE REGULATOR

(Myxococcus
xanthus) 		PF00072
(Response_reg) 		5 LEU A  65
VAL A  24
ILE A  23
LEU A 134
LEU A 130
 None
 1.34A 4yvpB-3nhmA:
undetectable		 4yvpB-3nhmA:
18.18
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.
3ps5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		5 LEU A 209
VAL A 207
ILE A 199
LEU A 187
LEU A 190
 None
 1.36A 4yvpB-3ps5A:
undetectable		 4yvpB-3ps5A:
19.33
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.
3pzl AGMATINE
UREOHYDROLASE

(Thermoplasma
volcanium) 		PF00491
(Arginase) 		5 TYR A 225
VAL A 103
ILE A 100
LEU A 171
LEU A 170
 None
 1.36A 4yvpB-3pzlA:
undetectable		 4yvpB-3pzlA:
23.61
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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 TYR A 128
LEU A 172
ASN A 141
LEU A 121
LEU A 164
 None
 1.36A 4yvpB-3qivA:
undetectable		 4yvpB-3qivA:
23.64
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 LEU A  36
VAL A  87
ILE A  88
LEU A 134
LEU A 118
 None
 1.02A 4yvpB-3s2uA:
undetectable		 4yvpB-3s2uA:
21.11
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.
3tcm ALANINE
AMINOTRANSFERASE 2

(Hordeum vulgare) 		PF00155
(Aminotran_1_2) 		5 LEU A 255
VAL A 279
ILE A 278
LEU A 201
LEU A 236
 None
 0.96A 4yvpB-3tcmA:
undetectable		 4yvpB-3tcmA:
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.
3tho EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		5 LEU B  55
VAL B  87
ILE B 113
LEU B  60
LEU B  99
 None
 1.19A 4yvpB-3thoB:
undetectable		 4yvpB-3thoB:
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA

(Xanthomonas
oryzae) 		PF03377
(TAL_effector) 		5 LEU A 487
HIS A 491
VAL A 498
ILE A 501
LEU A 516
 None
 1.17A 4yvpB-3ugmA:
undetectable		 4yvpB-3ugmA:
15.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 LEU A  57
TYR A  58
TRP A  81
HIS A 112
ASN A 144
 None
 0.52A 4yvpB-3wbxA:
35.0		 4yvpB-3wbxA:
35.76
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.
4bug ANCILLARY PROTEIN 1

(Streptococcus
pyogenes) 		PF08341
(TED) 		5 LEU A 670
TYR A 674
VAL A 641
LEU A 711
LEU A 608
 None
 1.13A 4yvpB-4bugA:
undetectable		 4yvpB-4bugA:
21.89
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.
4by6 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF04054
(Not1) 		5 VAL A1939
ILE A1938
ASN A1975
LEU A1905
LEU A1909
 None
 1.24A 4yvpB-4by6A:
undetectable		 4yvpB-4by6A:
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 LEU A 380
VAL A 365
ILE A 369
LEU A 519
LEU A 476
 None
 1.18A 4yvpB-4ecoA:
undetectable		 4yvpB-4ecoA:
19.50
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.
4emb 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Borreliella
burgdorferi) 		PF00300
(His_Phos_1) 		5 LEU A  70
VAL A  84
ILE A  82
LEU A  48
LEU A  77
 None
 1.13A 4yvpB-4embA:
undetectable		 4yvpB-4embA:
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.
4f1n KPAGO

(Vanderwaltozyma
polyspora) 		PF02171
(Piwi) 		5 LEU A1177
VAL A 970
ILE A 968
ASN A 955
LEU A 958
 None
 1.10A 4yvpB-4f1nA:
undetectable		 4yvpB-4f1nA:
15.49
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.
4g1g MATRIX PROTEIN

(Avian
avulavirus 1) 		PF00661
(Matrix) 		5 TYR A 302
LEU A 206
VAL A 325
ILE A 350
LEU A 264
 None
 1.38A 4yvpB-4g1gA:
undetectable		 4yvpB-4g1gA:
23.54
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.
4ggj MITOCHONDRIAL
CARDIOLIPIN
HYDROLASE

(Mus musculus) 		PF13091
(PLDc_2) 		5 LEU A 103
TRP A 171
ILE A 165
LEU A 110
LEU A  91
 None
 1.24A 4yvpB-4ggjA:
undetectable		 4yvpB-4ggjA:
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.
4hvm TLMII

(Streptoalloteichus
hindustanus) 		PF00668
(Condensation) 		5 LEU A 179
HIS A 177
VAL A 184
LEU A 280
LEU A 284
 None
 1.35A 4yvpB-4hvmA:
undetectable		 4yvpB-4hvmA:
20.55
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.
4p8s RETICULON-4
RECEPTOR-LIKE 2

(Rattus
norvegicus) 		PF13855
(LRR_8) 		5 TYR A 161
LEU A 209
ILE A 231
LEU A 181
LEU A 205
 None
 1.13A 4yvpB-4p8sA:
undetectable		 4yvpB-4p8sA:
21.15
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 LEU B 389
VAL B 392
ILE B 396
ASN B 467
LEU B 593
 None
 1.34A 4yvpB-4qj4B:
6.2		 4yvpB-4qj4B:
16.86
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 TYR A 204
VAL A 278
ILE A 328
LEU A 148
LEU A 307
 None
 1.08A 4yvpB-4r39A:
undetectable		 4yvpB-4r39A:
21.85
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.
4rg1 C9ORF114

(Homo sapiens) 		PF02598
(Methyltrn_RNA_3) 		5 LEU A 142
VAL A 114
ILE A 112
LEU A 172
LEU A 149
 None
 1.19A 4yvpB-4rg1A:
undetectable		 4yvpB-4rg1A:
22.34
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.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  67
TYR A 306
VAL A  71
ILE A  74
LEU A  92
 None
 1.19A 4yvpB-4rm7A:
undetectable		 4yvpB-4rm7A:
20.65
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.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		5 TYR A 623
VAL A 539
ILE A 538
LEU A 633
LEU A 601
 None
 1.19A 4yvpB-4ru4A:
undetectable		 4yvpB-4ru4A:
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.
4uie SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 5 LEU A 774
VAL A 851
ILE A 831
ASN A 789
LEU A 771
 None
 1.20A 4yvpB-4uieA:
undetectable		 4yvpB-4uieA:
21.64
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.
4uie SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 5 LEU A 859
VAL A 876
ILE A 772
LEU A 816
LEU A 790
 None
 1.10A 4yvpB-4uieA:
undetectable		 4yvpB-4uieA:
21.64
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.
4uj8 SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 5 LEU A 774
VAL A 851
ILE A 831
ASN A 789
LEU A 771
 None
 1.23A 4yvpB-4uj8A:
undetectable		 4yvpB-4uj8A:
23.00
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.
4uj8 SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 5 LEU A 859
VAL A 876
ILE A 772
LEU A 816
LEU A 790
 None
 1.10A 4yvpB-4uj8A:
undetectable		 4yvpB-4uj8A:
23.00
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.
4wzw PUMILIO
DOMAIN-CONTAINING
PROTEIN KIAA0020

(Homo sapiens) 		PF08144
(CPL) 		5 LEU A 537
HIS A 547
VAL A 596
LEU A 581
LEU A 558
 None
 1.22A 4yvpB-4wzwA:
undetectable		 4yvpB-4wzwA:
22.12
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.
4xky DIHYDRODIPICOLINATE
SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00701
(DHDPS) 		5 LEU A  34
HIS A  33
VAL A  39
ILE A   8
LEU A 262
 None
 1.33A 4yvpB-4xkyA:
3.0		 4yvpB-4xkyA:
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.
4xrt STFQ
AROMATASE/CYCLASE

(Streptomyces
steffisburgensis) 		PF03364
(Polyketide_cyc) 		5 LEU A  29
TRP A  72
HIS A  56
ILE A  81
LEU A 134
 None
 1.24A 4yvpB-4xrtA:
undetectable		 4yvpB-4xrtA:
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.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 LEU A 216
VAL A 253
ILE A 252
HIS A  34
LEU A 309
 None
GOL  A 401 ( 4.8A)
None
None
None
 1.27A 4yvpB-5c54A:
5.9		 4yvpB-5c54A:
22.79
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.
5dbk TRANSCRIPTIONAL
REGULATOR/TPR DOMAIN
PROTEIN

(Bacillus
thuringiensis) 		PF13424
(TPR_12) 		5 LEU A  83
TRP A  79
VAL A  91
LEU A 131
LEU A 122
 None
 1.38A 4yvpB-5dbkA:
undetectable		 4yvpB-5dbkA:
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.
5ejb FUSION GLYCOPROTEIN
F0

(Hendra
henipavirus) 		no annotation 5 LEU B  87
VAL B 269
ILE B 276
LEU B 207
LEU B 210
 None
 1.28A 4yvpB-5ejbB:
undetectable		 4yvpB-5ejbB:
21.23
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 LEU A 709
VAL A 721
TRP A 701
LEU A 700
LEU A 785
 None
 1.27A 4yvpB-5gz4A:
undetectable		 4yvpB-5gz4A:
17.79
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.
5hxg FLAGELLAR
TRANSCRIPTIONAL
REGULATOR FLHD
UNCHARACTERIZED
PROTEIN STM1697

(Salmonella
enterica) 		PF00563
(EAL)
PF05247
(FlhD) 		5 LEU A 146
VAL A 154
ILE A 184
LEU B  18
LEU A 173
 None
 1.37A 4yvpB-5hxgA:
5.0		 4yvpB-5hxgA:
22.55
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.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 308
VAL A 314
ILE A 348
LEU A 365
LEU A 362
 None
 1.17A 4yvpB-5ijgA:
undetectable		 4yvpB-5ijgA:
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 LEU A 589
VAL A 603
ILE A 577
LEU A 617
LEU A 614
 None
 1.33A 4yvpB-5ijlA:
undetectable		 4yvpB-5ijlA:
15.86
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.
5l3z POLYKETIDE
KETOREDUCTASE SIMC7

(Streptomyces
antibioticus) 		PF13460
(NAD_binding_10) 		5 LEU A  68
VAL A 115
ILE A  75
LEU A  60
LEU A  56
 None
 1.30A 4yvpB-5l3zA:
undetectable		 4yvpB-5l3zA:
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.
5loh SERINE/THREONINE-PRO
TEIN KINASE
GREATWALL,SERINE/THR
EONINE-PROTEIN
KINASE GREATWALL

(Homo sapiens) 		PF00069
(Pkinase) 		5 TYR A 744
LEU A 157
VAL A 140
ILE A 137
LEU A 816
 None
 1.25A 4yvpB-5lohA:
undetectable		 4yvpB-5lohA:
22.55
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 TYR A 634
VAL A 235
ILE A 563
LEU A 617
LEU A 621
 None
 1.24A 4yvpB-5mfaA:
undetectable		 4yvpB-5mfaA:
19.49
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.
5nfq EPOXIDE HYDROLASE
BELONGING TO
ALPHA/BETA HYDROLASE
SUPERFAMILY
METAGENOMIC FROM
TOMSK SAMPLE

(metagenome) 		no annotation 5 LEU A 260
VAL A 243
ILE A 125
LEU A 234
LEU A 113
 None
None
None
EDO  A 410 ( 4.9A)
EDO  A 410 ( 4.3A)
 0.96A 4yvpB-5nfqA:
undetectable		 4yvpB-5nfqA:
12.69
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.
5nn7 URACIL-DNA
GLYCOSYLASE

(Human
gammaherpesvirus
8) 		no annotation 5 LEU A 145
ILE A 175
TRP A  31
LEU A  27
LEU A  35
 None
 1.30A 4yvpB-5nn7A:
undetectable		 4yvpB-5nn7A:
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 5 LEU C  38
VAL C  34
HIS C  20
LEU C  43
LEU C  49
 None
 1.38A 4yvpB-5o4gC:
undetectable		 4yvpB-5o4gC:
14.15
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.
5vai UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF00002
(7tm_2)
PF02793
(HRM) 		5 LEU R 356
VAL R 327
ILE R 323
LEU R 183
LEU R 244
 None
 1.31A 4yvpB-5vaiR:
undetectable		 4yvpB-5vaiR:
23.06
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 VAL A1209
ILE A1272
ASN A1128
LEU A1277
LEU A1130
 None
 1.35A 4yvpB-5x7sA:
3.1		 4yvpB-5x7sA:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ape BIFUNCTIONAL PROTEIN
FOLD

(Helicobacter
pylori) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 VAL A 191
ILE A 167
ASN A 184
LEU A 134
LEU A 181
 None
 1.34A 4yvpB-6apeA:
undetectable		 4yvpB-6apeA:
23.78
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 TYR A 634
VAL A 235
ILE A 563
LEU A 617
LEU A 621
 None
 1.22A 4yvpB-6azpA:
undetectable		 4yvpB-6azpA:
13.61
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.
6c4m YERSINOPINE
DEHYDROGENASE

(Yersinia pestis) 		no annotation 5 LEU C 245
TYR C 266
VAL C 278
LEU C 307
LEU C 303
 None
 1.31A 4yvpB-6c4mC:
undetectable		 4yvpB-6c4mC:
15.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 6 TYR A  24
LEU A  54
TYR A  55
TRP A  86
HIS A 117
ASN A 167
 CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
NAP  A 401 ( 3.3A)
 0.23A 4yvpB-6f2uA:
51.5		 4yvpB-6f2uA:
96.25