SIMILAR PATTERNS OF AMINO ACIDS FOR 2NNH_A_9CRA501

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.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 GLY A 351
SER A 358
ILE A 325
ALA A 366
THR A 371
 None
 1.07A 2nnhA-1iirA:
0.0		 2nnhA-1iirA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 GLY A 106
ALA A 149
VAL A 103
PRO A 104
ILE A 113
 None
 1.08A 2nnhA-1ikpA:
0.0		 2nnhA-1ikpA:
20.93
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.
1kuu CONSERVED PROTEIN

(Methanothermobacter) 		PF07826
(IMP_cyclohyd) 		5 GLY A  10
ILE A 170
ALA A 185
THR A  32
ILE A  62
 None
 0.94A 2nnhA-1kuuA:
undetectable		 2nnhA-1kuuA:
18.91
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.
1og6 HYPOTHETICAL
OXIDOREDUCTASE YDHF

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 GLY A  45
ILE A  38
ALA A  67
VAL A  49
ILE A  80
 None
 1.13A 2nnhA-1og6A:
0.0		 2nnhA-1og6A:
18.76
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.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A

(Escherichia
coli) 		no annotation 5 GLY A  97
SER A  20
SER A  12
ALA A 124
ILE A  93
 None
 0.95A 2nnhA-1oy1A:
undetectable		 2nnhA-1oy1A:
19.47
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.
1r44 D-ALANYL-D-ALANINE
DIPEPTIDASE

(Enterococcus
faecium) 		PF01427
(Peptidase_M15) 		5 GLY A 138
SER A 156
THR A  59
VAL A 135
PRO A 136
 None
 1.13A 2nnhA-1r44A:
undetectable		 2nnhA-1r44A:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryn PROTEIN CRS2

(Zea mays) 		PF01195
(Pept_tRNA_hydro) 		5 GLY A  11
SER A  66
ILE A  75
ALA A  79
VAL A  62
 GLY  A  11 ( 0.0A)
SER  A  66 ( 0.0A)
ILE  A  75 ( 0.7A)
ALA  A  79 ( 0.0A)
VAL  A  62 ( 0.5A)
 1.09A 2nnhA-1rynA:
undetectable		 2nnhA-1rynA:
19.54
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.
1ufr PYR MRNA-BINDING
ATTENUATION PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		5 GLY A  65
ILE A  50
ALA A  21
VAL A  62
PRO A  63
 None
 1.07A 2nnhA-1ufrA:
undetectable		 2nnhA-1ufrA:
16.81
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.
1yr7 ATP(GTP)BINDING
PROTEIN

(Pyrococcus
abyssi) 		PF03029
(ATP_bind_1) 		5 GLY A 104
ILE A 130
SER A  11
ALA A 163
ILE A 152
 GSP  A 401 (-3.5A)
None
GSP  A 401 (-3.6A)
None
None
 1.15A 2nnhA-1yr7A:
0.0		 2nnhA-1yr7A:
20.75
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		5 GLY A 247
SER A 252
SER A 227
ALA A 348
ILE A 456
 ATP  A 541 (-3.1A)
None
None
None
None
 0.95A 2nnhA-1ytmA:
undetectable		 2nnhA-1ytmA:
23.08
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.
2bkw ALANINE-GLYOXYLATE
AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00266
(Aminotran_5) 		5 GLY A 191
ILE A 159
SER A 160
THR A  94
VAL A 174
 None
 1.11A 2nnhA-2bkwA:
undetectable		 2nnhA-2bkwA:
22.47
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.
2bsz ARYLAMINE
N-ACETYLTRANSFERASE
1

(Mesorhizobium
loti) 		PF00797
(Acetyltransf_2) 		5 GLY A  50
ILE A 258
ALA A 247
VAL A 208
ILE A 273
 None
 1.14A 2nnhA-2bszA:
undetectable		 2nnhA-2bszA:
19.03
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.
2cg4 REGULATORY PROTEIN
ASNC

(Escherichia
coli) 		PF01037
(AsnC_trans_reg)
PF13404
(HTH_AsnC-type) 		5 GLY A  50
ALA A  21
THR A  23
VAL A  43
ILE A  13
 None
 1.13A 2nnhA-2cg4A:
undetectable		 2nnhA-2cg4A:
15.69
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.
2ej0 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF01063
(Aminotran_4) 		5 GLY A  12
ILE A   8
ALA A   5
VAL A  85
ILE A  96
 None
 1.15A 2nnhA-2ej0A:
undetectable		 2nnhA-2ej0A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		5 ILE X 618
ALA X 612
THR X 610
PRO X 453
ILE X 459
 None
 1.10A 2nnhA-2epkX:
1.8		 2nnhA-2epkX:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		9 ARG A  97
SER A 100
ILE A 113
SER A 114
ALA A 297
THR A 301
VAL A 366
PRO A 367
ILE A 476
 HEM  A 500 (-2.6A)
None
225  A 501 ( 4.3A)
None
HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
225  A 501 ( 3.7A)
225  A 501 ( 4.7A)
225  A 501 ( 3.9A)
 0.70A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		9 ARG A  97
SER A 100
SER A 103
ILE A 113
SER A 114
ALA A 297
THR A 301
VAL A 366
PRO A 367
 HEM  A 500 (-2.6A)
None
225  A 501 ( 4.0A)
225  A 501 ( 4.3A)
None
HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
225  A 501 ( 3.7A)
225  A 501 ( 4.7A)
 0.61A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		6 GLY A  98
SER A 100
ILE A 113
SER A 114
ALA A 297
ILE A 476
 None
None
225  A 501 ( 4.3A)
None
HEM  A 500 (-3.5A)
225  A 501 ( 3.9A)
 0.91A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		6 GLY A  98
SER A 100
SER A 103
ILE A 113
SER A 114
ALA A 297
 None
None
225  A 501 ( 4.0A)
225  A 501 ( 4.3A)
None
HEM  A 500 (-3.5A)
 0.89A 2nnhA-2nnjA:
62.3		 2nnhA-2nnjA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 SER A 780
ILE A 649
SER A 648
ALA A 641
ILE A 616
 None
 1.03A 2nnhA-2np0A:
undetectable		 2nnhA-2np0A:
16.61
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.
2np3 PUTATIVE TETR-FAMILY
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 201
ILE A  92
ALA A 152
VAL A 169
ILE A 157
 None
 1.15A 2nnhA-2np3A:
undetectable		 2nnhA-2np3A:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 GLY A 199
SER A 201
SER A 291
VAL A 282
ILE A 263
 None
 1.11A 2nnhA-2olsA:
undetectable		 2nnhA-2olsA:
20.93
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.
2qmw PREPHENATE
DEHYDRATASE

(Staphylococcus
aureus) 		PF00800
(PDT) 		5 SER A  13
ILE A  61
SER A  56
ALA A  65
ILE A 173
 None
None
EDO  A 321 (-4.0A)
None
None
 1.11A 2nnhA-2qmwA:
undetectable		 2nnhA-2qmwA:
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 128
ALA A  73
THR A  77
VAL A  86
ILE A 105
 None
None
None
FAD  A 601 (-4.2A)
None
 1.13A 2nnhA-2wdwA:
undetectable		 2nnhA-2wdwA:
20.10
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.
2xhl BOTULINUM NEUROTOXIN
B HEAVY CHAIN

(Clostridium
botulinum) 		PF07952
(Toxin_trans) 		5 SER B 796
ILE B 665
SER B 664
ALA B 657
ILE B 635
 None
 1.03A 2nnhA-2xhlB:
undetectable		 2nnhA-2xhlB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		5 GLY A 321
SER A 343
ALA A 220
THR A  70
ILE A  65
 None
 1.14A 2nnhA-2zc7A:
undetectable		 2nnhA-2zc7A:
20.08
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.
3doo SHIKIMATE
DEHYDROGENASE

(Staphylococcus
epidermidis) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A  92
ILE A  54
ALA A   4
VAL A  87
ILE A  67
 None
 1.13A 2nnhA-3dooA:
undetectable		 2nnhA-3dooA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dty OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A  19
ILE A 100
ALA A 103
VAL A  88
ILE A  85
 None
 1.08A 2nnhA-3dtyA:
undetectable		 2nnhA-3dtyA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 ARG A 100
GLY A 101
ILE A 115
ALA A 299
THR A 303
 HEM  A 500 (-2.4A)
None
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
 0.82A 2nnhA-3e4eA:
51.4		 2nnhA-3e4eA:
59.12
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.
3ep1 PGRP-HD -
PEPTIDOGLYCAN
RECOGNITION PROTEIN
HOMOLOGUE

(Alvinella
pompejana) 		PF01510
(Amidase_2) 		5 GLY A 168
ILE A 163
ALA A 204
VAL A 186
ILE A 102
 None
 1.03A 2nnhA-3ep1A:
undetectable		 2nnhA-3ep1A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f0n MEVALONATE
PYROPHOSPHATE
DECARBOXYLASE

(Mus musculus) 		PF00288
(GHMP_kinases_N) 		5 GLY A 378
SER A 162
ALA A  19
THR A 303
ILE A 197
 None
 1.13A 2nnhA-3f0nA:
undetectable		 2nnhA-3f0nA:
22.74
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.
3ftj MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		PF12704
(MacB_PCD) 		5 GLY A 317
SER A 491
ILE A 513
VAL A 483
ILE A 354
 None
 1.07A 2nnhA-3ftjA:
undetectable		 2nnhA-3ftjA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ist GLUTAMATE RACEMASE

(Listeria
monocytogenes) 		PF01177
(Asp_Glu_race) 		5 SER A 206
ILE A  95
ALA A 128
VAL A 113
ILE A 111
 None
 1.09A 2nnhA-3istA:
undetectable		 2nnhA-3istA:
21.19
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.
3iuz PUTATIVE GLYOXALASE
SUPERFAMILY PROTEIN

(Cupriavidus
pinatubonensis) 		PF07063
(DUF1338) 		5 GLY A  30
ALA A   6
THR A  18
VAL A  27
PRO A  28
 None
 0.92A 2nnhA-3iuzA:
undetectable		 2nnhA-3iuzA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		5 GLY D 320
ALA D 159
VAL D 337
PRO D 338
ILE D 151
 None
 0.94A 2nnhA-3k70D:
undetectable		 2nnhA-3k70D:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l3b ES1 FAMILY PROTEIN

(Ehrlichia
chaffeensis) 		PF01965
(DJ-1_PfpI) 		5 GLY A  97
SER A 139
ILE A   8
ALA A 122
ILE A 115
 None
 1.00A 2nnhA-3l3bA:
undetectable		 2nnhA-3l3bA:
19.54
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY A 260
SER A 276
SER A 262
ALA A 288
VAL A 253
 None
 1.01A 2nnhA-3lxdA:
undetectable		 2nnhA-3lxdA:
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.
3lyl 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 SER A 165
ILE A 137
SER A 138
ALA A 226
ILE A 177
 None
 1.11A 2nnhA-3lylA:
undetectable		 2nnhA-3lylA:
19.03
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.
3mkb HEMOGLOBIN SUBUNIT
ALPHA

(Isurus
oxyrinchus) 		PF00042
(Globin) 		5 SER A 102
ILE A 131
SER A 132
ALA A  69
ILE A  63
 None
HEM  A 141 ( 4.6A)
None
None
None
 1.10A 2nnhA-3mkbA:
undetectable		 2nnhA-3mkbA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3msv NUCLEAR IMPORT
ADAPTOR, NRO1

(Schizosaccharomyces
pombe) 		PF12753
(Nro1) 		5 GLY A 246
ILE A 206
ALA A 209
VAL A 257
ILE A 261
 None
 0.91A 2nnhA-3msvA:
undetectable		 2nnhA-3msvA:
23.59
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.
3mtj HOMOSERINE
DEHYDROGENASE

(Thiobacillus
denitrificans) 		PF00742
(Homoserine_dh)
PF01842
(ACT)
PF03447
(NAD_binding_3) 		5 GLY A 198
SER A 161
ILE A 156
PRO A 264
ILE A 245
 None
 1.05A 2nnhA-3mtjA:
undetectable		 2nnhA-3mtjA:
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.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		5 SER A 516
ILE A 495
SER A 502
THR A 365
PRO A 643
 None
 1.04A 2nnhA-3muuA:
undetectable		 2nnhA-3muuA:
20.82
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLY A 287
ILE A 139
ALA A 297
VAL A 304
ILE A 171
 None
 0.95A 2nnhA-3ne5A:
1.2		 2nnhA-3ne5A:
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.
3nv7 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Helicobacter
pylori) 		PF01467
(CTP_transf_like) 		5 GLY A 140
ILE A 154
SER A 155
VAL A 132
ILE A 127
 None
 1.06A 2nnhA-3nv7A:
undetectable		 2nnhA-3nv7A:
16.81
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 GLY A 553
ILE A  29
ALA A  41
PRO A  22
ILE A   4
 None
 1.12A 2nnhA-3pihA:
undetectable		 2nnhA-3pihA:
20.74
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.
3qtn UNCHARACTERIZED
PROTEIN C4B3.07

(Schizosaccharomyces
pombe) 		PF12753
(Nro1) 		5 GLY B 246
ILE B 206
ALA B 209
VAL B 257
ILE B 261
 None
 0.89A 2nnhA-3qtnB:
1.5		 2nnhA-3qtnB:
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.
3rgg PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, PURE
PROTEIN

(Treponema
denticola) 		PF00731
(AIRC) 		5 GLY A  82
ILE A  85
ALA A 120
VAL A   5
ILE A  30
 None
 0.98A 2nnhA-3rggA:
undetectable		 2nnhA-3rggA:
17.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		6 ARG A  98
ILE A 114
ALA A 298
THR A 302
VAL A 367
PRO A 368
 HEM  A 500 (-2.9A)
HEM  A 500 (-4.0A)
CPZ  A 501 (-3.5A)
CPZ  A 501 ( 3.7A)
HEM  A 500 ( 4.3A)
None
 0.76A 2nnhA-3tk3A:
52.7		 2nnhA-3tk3A:
55.46
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 GLY A 206
ILE A 195
ALA A 159
VAL A 149
ILE A 154
 None
 1.02A 2nnhA-3uszA:
undetectable		 2nnhA-3uszA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ak1 BT_4661

(Bacteroides
thetaiotaomicron) 		PF16319
(DUF4958) 		5 GLY A  24
SER A  26
SER A 198
VAL A 110
PRO A 109
 None
 1.04A 2nnhA-4ak1A:
undetectable		 2nnhA-4ak1A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ak1 BT_4661

(Bacteroides
thetaiotaomicron) 		PF16319
(DUF4958) 		5 GLY A  24
SER A  26
THR A 144
VAL A 110
PRO A 109
 None
 1.14A 2nnhA-4ak1A:
undetectable		 2nnhA-4ak1A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4avy PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 GLY A  41
ILE A  55
ALA A  31
VAL A  15
ILE A  26
 None
 1.14A 2nnhA-4avyA:
undetectable		 2nnhA-4avyA:
19.04
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.
4b0t PUP--PROTEIN LIGASE

(Corynebacterium
glutamicum) 		PF03136
(Pup_ligase) 		5 GLY A 225
SER A 186
ILE A 182
SER A 183
ALA A 273
 None
 1.00A 2nnhA-4b0tA:
undetectable		 2nnhA-4b0tA:
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLY A 366
SER A 449
ILE A 284
ALA A 269
VAL A 336
 None
 1.13A 2nnhA-4bziA:
undetectable		 2nnhA-4bziA:
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.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ARG A 179
GLY A 180
VAL A 177
PRO A 178
ILE A 143
 None
 1.12A 2nnhA-4d5gA:
undetectable		 2nnhA-4d5gA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ecd CHORISMATE SYNTHASE

(Bifidobacterium
longum) 		PF01264
(Chorismate_synt) 		5 GLY A 266
ALA A 247
THR A 362
VAL A 311
ILE A 309
 None
 1.15A 2nnhA-4ecdA:
undetectable		 2nnhA-4ecdA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iw7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Francisella
tularensis) 		PF00155
(Aminotran_1_2) 		5 GLY A 199
ILE A 206
ALA A 175
THR A 178
VAL A 184
 None
 1.10A 2nnhA-4iw7A:
undetectable		 2nnhA-4iw7A:
21.81
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.
4nv7 ARYLAMINE
N-ACETYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF00797
(Acetyltransf_2) 		5 GLY A  50
ILE A 258
ALA A 247
VAL A 208
ILE A 273
 None
 1.13A 2nnhA-4nv7A:
undetectable		 2nnhA-4nv7A:
20.24
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.
4o0e ISOASPARTYL
PEPTIDASE/L-ASPARAGI
NASE

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 GLY A 188
SER A  67
ALA A 105
VAL A  95
ILE A  98
 None
 1.15A 2nnhA-4o0eA:
undetectable		 2nnhA-4o0eA:
21.40
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.
4pg6 HOMOSERINE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 GLY A 199
SER A 162
ILE A 157
PRO A 265
ILE A 246
 None
 1.01A 2nnhA-4pg6A:
undetectable		 2nnhA-4pg6A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4piv FATTY ACID SYNTHASE

(Homo sapiens) 		PF08242
(Methyltransf_12)
PF08659
(KR) 		5 GLY A1217
SER A1394
SER A1398
THR A1361
ILE A1356
 None
 1.15A 2nnhA-4pivA:
undetectable		 2nnhA-4pivA:
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.
4r1i AMINOBENZOYL-GLUTAMA
TE TRANSPORTER

(Neisseria
gonorrhoeae) 		PF03806
(ABG_transport) 		5 GLY A  92
ILE A 199
ALA A 424
VAL A 368
ILE A 206
 None
 1.09A 2nnhA-4r1iA:
undetectable		 2nnhA-4r1iA:
19.96
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.
4r9p RE28239P

(Drosophila
melanogaster) 		PF03166
(MH2) 		5 GLY A 117
ILE A  93
ALA A  72
VAL A 221
ILE A 223
 None
 1.10A 2nnhA-4r9pA:
undetectable		 2nnhA-4r9pA:
17.27
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.
4r9v SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		5 GLY A 363
ILE A 467
SER A 464
ALA A 473
ILE A 443
 None
 1.15A 2nnhA-4r9vA:
undetectable		 2nnhA-4r9vA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rqu ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 131
SER A 147
ALA A  13
VAL A  27
ILE A 135
 None
 1.03A 2nnhA-4rquA:
undetectable		 2nnhA-4rquA:
22.84
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.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 115
SER A 210
ILE A 216
SER A 213
ALA A 272
 ANP  A 399 ( 3.0A)
None
None
ANP  A 399 (-3.0A)
None
 1.06A 2nnhA-4utgA:
undetectable		 2nnhA-4utgA:
22.15
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.
4xk2 ALDO/KETO REDUCTASE

(Polaromonas sp.
JS666) 		PF00248
(Aldo_ket_red) 		5 ILE A 210
ALA A 182
VAL A  13
PRO A  14
ILE A  83
 None
 1.09A 2nnhA-4xk2A:
undetectable		 2nnhA-4xk2A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 GLY A 214
ILE A 239
ALA A 283
THR A 287
ILE A 236
 None
 0.92A 2nnhA-4xz3A:
undetectable		 2nnhA-4xz3A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7i MYOTUBULARIN-RELATED
PROTEIN 8

(Homo sapiens) 		PF06602
(Myotub-related) 		5 GLY A 341
ILE A 273
ALA A 315
VAL A 348
ILE A 323
 PO4  A 602 (-3.7A)
None
None
None
None
 1.11A 2nnhA-4y7iA:
undetectable		 2nnhA-4y7iA:
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.
4zrm UDP-GLUCOSE
4-EPIMERASE

(Thermotoga
maritima) 		PF01370
(Epimerase) 		5 GLY A 119
ILE A 236
ALA A 221
VAL A 173
ILE A  12
 None
None
None
NAD  A 401 (-3.8A)
NAD  A 401 (-4.0A)
 1.14A 2nnhA-4zrmA:
undetectable		 2nnhA-4zrmA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 GLY A 281
ILE A 377
ALA A 347
VAL A 391
ILE A 340
 None
 1.06A 2nnhA-4zwlA:
undetectable		 2nnhA-4zwlA:
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 GLY A  79
SER A 526
ILE A 531
ALA A 315
ILE A 310
 None
 1.02A 2nnhA-5a8rA:
undetectable		 2nnhA-5a8rA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 GLY A 305
ILE A 257
ALA A 243
THR A 331
ILE A 265
 None
 1.13A 2nnhA-5ah5A:
undetectable		 2nnhA-5ah5A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 GLY I 409
SER I 435
ILE I 396
ALA I 382
VAL I 388
 None
 0.89A 2nnhA-5b04I:
undetectable		 2nnhA-5b04I:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		5 ARG A  98
ALA A 298
THR A 302
VAL A 367
PRO A 368
 HEM  A 501 (-2.7A)
HEM  A 501 ( 3.1A)
CPZ  A 502 ( 4.0A)
HEM  A 501 ( 4.4A)
None
 0.77A 2nnhA-5e0eA:
52.2		 2nnhA-5e0eA:
52.75
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLY A 151
ILE A  11
SER A   8
VAL A  46
ILE A  81
 None
 1.10A 2nnhA-5e9aA:
undetectable		 2nnhA-5e9aA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLY A 787
SER A 805
ILE A 746
VAL A 799
PRO A 800
 None
 1.13A 2nnhA-5enoA:
undetectable		 2nnhA-5enoA:
21.50
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		5 GLY A 124
SER A 106
ILE A  38
SER A 100
ALA A  84
 COI  A 601 (-4.1A)
None
None
None
None
 0.94A 2nnhA-5ereA:
undetectable		 2nnhA-5ereA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		5 GLY A 103
ILE A 158
SER A 100
ALA A 201
ILE A 195
 None
 0.93A 2nnhA-5gj3A:
undetectable		 2nnhA-5gj3A:
20.49
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.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		5 SER A  35
ILE A  43
ALA A  56
VAL A  91
PRO A  92
 None
 0.92A 2nnhA-5gvhA:
undetectable		 2nnhA-5gvhA:
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ARG d 380
GLY d 201
ILE d 353
THR d 364
VAL d 378
 None
 1.06A 2nnhA-5gw5d:
undetectable		 2nnhA-5gw5d:
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.
5huq LACTATE RACEMIZATION
OPERON PROTEIN LARA

(Lactobacillus
plantarum) 		PF09861
(DUF2088) 		5 GLY A 181
SER A  71
ILE A 190
ALA A 159
ILE A 166
 4EY  A 501 (-3.7A)
4EY  A 501 (-3.6A)
None
None
None
 1.10A 2nnhA-5huqA:
undetectable		 2nnhA-5huqA:
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.
5jri PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 5 GLY A 103
ILE A 288
ALA A 129
THR A 131
VAL A  99
 None
None
None
FAD  A 401 (-4.0A)
None
 1.09A 2nnhA-5jriA:
undetectable		 2nnhA-5jriA:
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.
5jx5 GLUCANASE

(Orpinomyces sp.
Y102) 		PF01341
(Glyco_hydro_6) 		5 GLY A 351
SER A 349
ILE A 308
ALA A 291
THR A 325
 None
 1.14A 2nnhA-5jx5A:
undetectable		 2nnhA-5jx5A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lo7 FIMBRIAL PROTEIN
MYFA,FIMBRIAL
PROTEIN MYFA

(Yersinia
enterocolitica) 		no annotation 5 GLY A  60
SER A  58
ALA A  96
VAL A  52
ILE A 136
 None
 1.11A 2nnhA-5lo7A:
undetectable		 2nnhA-5lo7A:
14.16
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.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 GLY A 398
ILE A 418
SER A 414
ALA A 363
VAL A 376
 None
 1.10A 2nnhA-5ngkA:
undetectable		 2nnhA-5ngkA:
21.06
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.
5t0h 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		5 SER f 277
ILE f 650
THR f 616
VAL f 296
ILE f 270
 None
 1.13A 2nnhA-5t0hf:
undetectable		 2nnhA-5t0hf:
20.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 5 ARG A  98
GLY A  99
ILE A 114
ALA A 298
THR A 302
 HEM  A 501 (-2.8A)
None
9ZJ  A 502 ( 3.6A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
 0.76A 2nnhA-5wbgA:
51.7		 2nnhA-5wbgA:
61.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 6 ARG A  98
ILE A 114
ALA A 298
THR A 302
VAL A 367
PRO A 368
 HEM  A 501 (-2.8A)
9ZJ  A 502 ( 3.6A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
9ZJ  A 502 ( 4.2A)
None
 0.64A 2nnhA-5wbgA:
51.7		 2nnhA-5wbgA:
61.25
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.
5wdu ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 GLY A 527
ALA G 497
THR G  37
VAL G  42
PRO G  43
 None
 1.14A 2nnhA-5wduA:
undetectable		 2nnhA-5wduA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wtl OMPA FAMILY PROTEIN

(Capnocytophaga
gingivalis) 		no annotation 5 GLY A 416
ILE A 371
ALA A 348
VAL A 409
ILE A 360
 None
 1.08A 2nnhA-5wtlA:
undetectable		 2nnhA-5wtlA:
10.23
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.
5xu1 ABC TRANSPORTER
PERMEAE

(Streptococcus
pneumoniae) 		no annotation 5 GLY M 215
SER M 175
ALA M 183
PRO M 218
ILE M 166
 None
 1.07A 2nnhA-5xu1M:
0.0		 2nnhA-5xu1M:
11.55
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 GLY A 322
ILE A 318
ALA A 301
THR A 303
ILE A 275
 LLP  A  63 ( 3.8A)
None
None
None
None
 1.11A 2nnhA-5ybwA:
undetectable		 2nnhA-5ybwA:
8.76
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 5 GLY A2316
ILE A2260
ALA A2215
THR A2180
ILE A2376
 None
 1.12A 2nnhA-5yz0A:
undetectable		 2nnhA-5yz0A:
8.87
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.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER

(Yersinia pestis) 		no annotation 5 ARG A   9
GLY A   8
ALA A  95
VAL A  11
ILE A  13
 None
 0.94A 2nnhA-6b2yA:
undetectable		 2nnhA-6b2yA:
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.
6bcq TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4

(Mus musculus) 		no annotation 5 GLY B 151
SER B 149
ALA B 381
THR B 363
VAL B 120
 None
 1.14A 2nnhA-6bcqB:
undetectable		 2nnhA-6bcqB:
12.12
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C

(Pyrococcus
furiosus) 		no annotation 5 GLY E  85
ILE G  94
SER G  91
ALA D  84
THR D  88
 None
 1.06A 2nnhA-6cfwE:
undetectable		 2nnhA-6cfwE:
10.96
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 5 GLY A 253
SER A 258
SER A 234
ALA A 354
ILE A 462
 ATP  A 601 (-2.9A)
None
None
None
None
 1.03A 2nnhA-6d5iA:
undetectable		 2nnhA-6d5iA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dcq ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 SER B 528
ALA A 497
THR A  37
VAL A  42
PRO A  43
 NAG  A 615 (-4.5A)
None
None
None
None
 1.12A 2nnhA-6dcqB:
undetectable		 2nnhA-6dcqB:
10.75
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 5 SER B 308
ILE B 357
SER B 356
ALA B 424
ILE B 379
 None
None
None
None
5AD  B 504 ( 4.8A)
 1.03A 2nnhA-6fd2B:
undetectable		 2nnhA-6fd2B:
9.71