SIMILAR PATTERNS OF AMINO ACIDS FOR 1IWH_A_PEMA501_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.
1bdd STAPHYLOCOCCUS
AUREUS PROTEIN A

(Staphylococcus
aureus) 		PF02216
(B) 		4 ALA A  47
LYS A  51
ASP A  54
ALA A  55
 None
 0.34A 1iwhA-1bddA:
undetectable		 1iwhA-1bddA:
18.75
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.
1bk6 KARYOPHERIN ALPHA

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF16186
(Arm_3) 		4 ALA A 164
LYS A 167
ASP A 171
ALA A 172
 None
 0.37A 1iwhA-1bk6A:
undetectable		 1iwhA-1bk6A:
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.
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H

(Streptomyces
plicatus) 		PF00704
(Glyco_hydro_18) 		4 ALA A 110
LYS A 113
ASP A 117
ALA A 118
 ALA  A 110 ( 0.0A)
LYS  A 113 ( 0.0A)
ASP  A 117 ( 0.6A)
ALA  A 118 ( 0.0A)
 0.23A 1iwhA-1c8xA:
undetectable		 1iwhA-1c8xA:
20.30
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.
1d4o NADP(H)
TRANSHYDROGENASE

(Bos taurus) 		PF02233
(PNTB) 		5 ALA A  36
LYS A 168
ASP A 172
ALA A 173
LEU A  12
 NAP  A 201 (-3.5A)
None
None
None
None
 1.35A 1iwhA-1d4oA:
undetectable		 1iwhA-1d4oA:
18.78
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.
1d4o NADP(H)
TRANSHYDROGENASE

(Bos taurus) 		PF02233
(PNTB) 		5 LYS A 168
LYS A 169
ASP A 172
ALA A 173
LEU A  12
 None
 1.21A 1iwhA-1d4oA:
undetectable		 1iwhA-1d4oA:
18.78
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.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 ALA A  76
LYS A  79
ASP A  83
ALA A  84
 None
 0.27A 1iwhA-1g68A:
undetectable		 1iwhA-1g68A:
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.
1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01658
(Inos-1-P_synth) 		4 LYS A 184
LYS A 185
ASP A 188
ALA A 189
 None
 0.36A 1iwhA-1gr0A:
undetectable		 1iwhA-1gr0A:
20.42
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.
1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I

(Homo sapiens) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ALA A 308
LYS A 311
ASP A 315
ALA A 316
 None
 0.45A 1iwhA-1jcnA:
undetectable		 1iwhA-1jcnA:
16.00
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.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ALA A 308
LYS A 311
ASP A 315
ALA A 316
 None
 0.48A 1iwhA-1jr1A:
undetectable		 1iwhA-1jr1A:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mg7 EARLY SWITCH PROTEIN
XOL-1 2.2K SPLICE
FORM

(Caenorhabditis
elegans) 		PF09108
(Xol-1_N)
PF09109
(Xol-1_GHMP-like) 		4 ALA A 236
LYS A 239
ASP A 243
ALA A 244
 None
 0.45A 1iwhA-1mg7A:
0.0		 1iwhA-1mg7A:
15.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o1j HEMOGLOBIN ALPHA
CHAIN

(Homo sapiens) 		PF00042
(Globin) 		4 LYS A  61
ASP A  64
ALA A  65
LEU A  83
 HEM  A 284 (-3.7A)
None
HEM  A 284 ( 4.0A)
HEM  A 284 (-4.4A)
 0.43A 1iwhA-1o1jA:
26.8		 1iwhA-1o1jA:
43.46
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ALA A 193
LYS A 196
ASP A 200
ALA A 201
 None
 0.33A 1iwhA-1ovmA:
undetectable		 1iwhA-1ovmA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		4 ALA A  88
LYS A  91
ASP A  95
ALA A  96
 None
 0.28A 1iwhA-1q6hA:
undetectable		 1iwhA-1q6hA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)

(Sus scrofa) 		PF00042
(Globin) 		5 ALA A  57
LYS A  61
ASP A  64
ALA A  65
LEU A  83
 None
HEM  A 650 (-4.2A)
None
HEM  A 650 ( 3.8A)
HEM  A 650 (-4.7A)
 0.92A 1iwhA-1qpwA:
27.1		 1iwhA-1qpwA:
86.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qs2 ADP-RIBOSYLTRANSFERA
SE

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox) 		5 ALA A 327
LYS A 330
ASP A 334
ALA A 335
LEU A 291
 None
 0.87A 1iwhA-1qs2A:
undetectable		 1iwhA-1qs2A:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s0h HEMOGLOBIN ALPHA
CHAIN

(Equus asinus) 		PF00042
(Globin) 		5 ALA A  26
LYS A  60
ASP A  64
ALA A  65
LEU A  83
 None
None
None
HEM  A 142 (-3.6A)
HEM  A 142 (-4.6A)
 1.46A 1iwhA-1s0hA:
26.9		 1iwhA-1s0hA:
98.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s0h HEMOGLOBIN ALPHA
CHAIN

(Equus asinus) 		PF00042
(Globin) 		5 ALA A  57
LYS A  60
ASP A  64
ALA A  65
LEU A  83
 None
None
None
HEM  A 142 (-3.6A)
HEM  A 142 (-4.6A)
 1.03A 1iwhA-1s0hA:
26.9		 1iwhA-1s0hA:
98.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 228
LYS A 231
LYS A 232
ASP A 235
ALA A 236
 None
 0.90A 1iwhA-1tkkA:
undetectable		 1iwhA-1tkkA:
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.
1u31 NAD(P)
TRANSHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02233
(PNTB) 		5 ALA A  59
LYS A 191
ASP A 195
ALA A 196
LEU A  35
 NDP  A 300 (-3.5A)
None
None
None
None
 1.31A 1iwhA-1u31A:
undetectable		 1iwhA-1u31A:
20.19
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.
1u31 NAD(P)
TRANSHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02233
(PNTB) 		4 LYS A 191
LYS A 192
ASP A 195
ALA A 196
 None
 0.44A 1iwhA-1u31A:
undetectable		 1iwhA-1u31A:
20.19
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.
1vka MICROTUBULE-ASSOCIAT
ED PROTEIN RP/EB
FAMILY MEMBER 1

(Homo sapiens) 		PF00307
(CH) 		4 LYS A 112
LYS A 113
ASP A 116
ALA A 117
 None
 0.39A 1iwhA-1vkaA:
undetectable		 1iwhA-1vkaA:
21.76
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.
1wa5 IMPORTIN ALPHA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		4 ALA B 164
LYS B 167
ASP B 171
ALA B 172
 None
 0.37A 1iwhA-1wa5B:
undetectable		 1iwhA-1wa5B:
15.73
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.
2aaj MALONATE
SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
pavonaceae) 		PF14552
(Tautomerase_2) 		5 ALA A  14
LYS A  17
ASP A  21
ALA A  22
LEU A  91
 None
 1.49A 1iwhA-2aajA:
undetectable		 1iwhA-2aajA:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b7h HEMOGLOBIN ALPHA
CHAIN

(Cerdocyon thous) 		PF00042
(Globin) 		4 ALA A  57
ASP A  64
ALA A  65
LEU A  83
 None
None
HEM  A 200 ( 3.7A)
HEM  A 200 (-4.2A)
 0.44A 1iwhA-2b7hA:
27.0		 1iwhA-2b7hA:
81.56
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.
2d4p HYPOTHETICAL PROTEIN
TTHA1254

(Thermus
thermophilus) 		PF09390
(DUF1999) 		4 ALA A  82
LYS A  85
ASP A  89
ALA A  90
 None
 0.31A 1iwhA-2d4pA:
undetectable		 1iwhA-2d4pA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A 353
LYS A 356
ASP A 360
ALA A 361
 None
 0.34A 1iwhA-2fymA:
undetectable		 1iwhA-2fymA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvo RO SIXTY-RELATED
PROTEIN, RSR

(Deinococcus
radiodurans) 		PF05731
(TROVE) 		4 ALA A 114
ASP A 121
ALA A 122
LEU A  85
 None
 0.44A 1iwhA-2nvoA:
undetectable		 1iwhA-2nvoA:
14.70
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.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 ALA A 107
LYS A 110
ASP A 114
ALA A 115
 None
 0.38A 1iwhA-2olsA:
undetectable		 1iwhA-2olsA:
13.15
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.
2qih PROTEIN USPA1

(Moraxella
catarrhalis) 		PF06435
(DUF1079) 		4 ALA A 648
LYS A 651
ASP A 655
ALA A 656
 None
 0.34A 1iwhA-2qihA:
undetectable		 1iwhA-2qihA:
22.22
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.
2qjz MICROTUBULE-ASSOCIAT
ED PROTEIN RP/EB
FAMILY MEMBER 1

(Homo sapiens) 		PF00307
(CH) 		4 LYS A 112
LYS A 113
ASP A 116
ALA A 117
 None
 0.43A 1iwhA-2qjzA:
undetectable		 1iwhA-2qjzA:
20.13
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.
2v6u PTERIN-4A-CARBINOLAM
INE DEHYDRATASE

(Toxoplasma
gondii) 		PF01329
(Pterin_4a) 		4 ALA A  90
LYS A  93
ASP A  97
ALA A  98
 None
 0.36A 1iwhA-2v6uA:
undetectable		 1iwhA-2v6uA:
22.70
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		4 ALA A 461
LYS A 465
ASP A 468
ALA A 469
 None
 0.17A 1iwhA-2wkpA:
undetectable		 1iwhA-2wkpA:
18.54
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.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		4 ALA A 106
LYS A 109
ASP A 113
ALA A 114
 None
 0.42A 1iwhA-2x1mA:
undetectable		 1iwhA-2x1mA:
15.19
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.
2xbl PHOSPHOHEPTOSE
ISOMERASE

(Burkholderia
pseudomallei) 		PF13580
(SIS_2) 		4 ALA A  31
LYS A  35
ASP A  38
ALA A  39
 PG4  A1199 (-3.3A)
PG4  A1199 (-2.9A)
None
None
 0.42A 1iwhA-2xblA:
undetectable		 1iwhA-2xblA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfb METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER

(Pseudomonas
putida) 		PF16591
(HBM) 		4 ALA A 262
LYS A 266
ASP A 269
ALA A 270
 None
 0.45A 1iwhA-2yfbA:
2.8		 1iwhA-2yfbA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a0g HEMOGLOBIN SUBUNIT
ALPHA

(Cavia porcellus) 		PF00042
(Globin) 		6 ALA A  57
LYS A  60
LYS A  61
ASP A  64
ALA A  65
LEU A  83
 None
None
HEM  A 201 (-4.5A)
None
HEM  A 201 ( 3.8A)
HEM  A 201 ( 4.6A)
 0.53A 1iwhA-3a0gA:
26.0		 1iwhA-3a0gA:
76.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7m THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA-LIKE

(Escherichia
coli) 		PF01323
(DSBA) 		4 ALA A 119
LYS A 122
ASP A 126
ALA A 127
 CL  A 200 ( 4.1A)
None
None
None
 0.45A 1iwhA-3c7mA:
undetectable		 1iwhA-3c7mA:
23.16
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.
3co1 MICROTUBULE-ASSOCIAT
ED PROTEIN RP/EB
FAMILY MEMBER 3

(Homo sapiens) 		PF00307
(CH) 		4 LYS A 112
LYS A 113
ASP A 116
ALA A 117
 None
 0.42A 1iwhA-3co1A:
undetectable		 1iwhA-3co1A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cwf ALKALINE PHOSPHATASE
SYNTHESIS SENSOR
PROTEIN PHOR

(Bacillus
subtilis) 		PF16736
(sCache_like) 		4 ALA A  63
LYS A  66
ASP A  70
ALA A  71
 EDO  A 202 (-3.5A)
None
None
None
 0.40A 1iwhA-3cwfA:
undetectable		 1iwhA-3cwfA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cy5 HEMOGLOBIN SUBUNIT
BETA

(Bubalus bubalis) 		PF00042
(Globin) 		5 ALA B  62
LYS B  65
LYS B  66
ASP B  69
LEU B  88
 None
None
HEM  B 147 (-3.2A)
None
HEM  B 147 (-4.2A)
 0.93A 1iwhA-3cy5B:
22.2		 1iwhA-3cy5B:
43.54
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.
3epv NICKEL AND COBALT
RESISTANCE PROTEIN
CNRR

(Cupriavidus
metallidurans) 		PF13801
(Metal_resist) 		4 ALA A  49
LYS A  53
ASP A  56
ALA A  57
 None
 0.36A 1iwhA-3epvA:
undetectable		 1iwhA-3epvA:
21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fh9 HEMOGLOBIN ALPHA
CHAIN

(Pteropus
giganteus) 		PF00042
(Globin) 		6 ALA A  57
LYS A  60
LYS A  61
ASP A  64
ALA A  65
LEU A  83
 None
None
HEM  A 142 (-3.7A)
None
HEM  A 142 ( 3.9A)
HEM  A 142 (-4.8A)
 1.01A 1iwhA-3fh9A:
24.9		 1iwhA-3fh9A:
87.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gdj HEMOGLOBIN SUBUNIT
ALPHA

(Camelus
dromedarius) 		PF00042
(Globin) 		5 ALA A  57
LYS A  60
ASP A  64
ALA A  65
LEU A  83
 None
None
None
HEM  A 142 ( 3.8A)
HEM  A 142 ( 4.6A)
 0.37A 1iwhA-3gdjA:
27.5		 1iwhA-3gdjA:
85.82
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.
3gk0 PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF03740
(PdxJ) 		4 ALA A 125
LYS A 128
ASP A 132
ALA A 133
 None
 0.46A 1iwhA-3gk0A:
undetectable		 1iwhA-3gk0A:
18.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gqp HEMOGLOBIN SUBUNIT
ALPHA

(Felis catus) 		PF00042
(Globin) 		5 ALA A  57
LYS A  61
ASP A  64
ALA A  65
LEU A  83
 None
HEM  A 143 (-3.3A)
None
HEM  A 143 ( 3.9A)
HEM  A 143 ( 4.4A)
 0.52A 1iwhA-3gqpA:
26.9		 1iwhA-3gqpA:
82.27
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.
3j97 VESICLE-FUSING
ATPASE

(Cricetulus
griseus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		5 ALA A 584
LYS A 587
ASP A 591
ALA A 592
LEU A 640
 None
 1.28A 1iwhA-3j97A:
undetectable		 1iwhA-3j97A:
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		4 LYS A 690
ASP A 694
ALA A 695
LEU A 723
 None
EDO  A 816 (-4.4A)
None
None
 0.39A 1iwhA-3kflA:
undetectable		 1iwhA-3kflA:
13.83
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.
3kh2 PREVENT HOST DEATH
PROTEIN

(Escherichia
virus P1) 		PF02604
(PhdYeFM_antitox) 		4 ALA E  46
LYS E  49
ASP E  53
ALA E  54
 None
 0.43A 1iwhA-3kh2E:
undetectable		 1iwhA-3kh2E:
19.15
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.
3lg3 ISOCITRATE LYASE

(Yersinia pestis) 		PF00463
(ICL) 		4 ALA A 297
LYS A 300
ASP A 304
ALA A 305
 None
 0.27A 1iwhA-3lg3A:
undetectable		 1iwhA-3lg3A:
17.13
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.
3nnk UREIDOGLYCINE-GLYOXY
LATE
AMINOTRANSFERASE

(Klebsiella
pneumoniae) 		PF00266
(Aminotran_5) 		4 ALA A 293
LYS A 296
ASP A 300
ALA A 301
 None
 0.42A 1iwhA-3nnkA:
undetectable		 1iwhA-3nnkA:
18.37
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.
3r20 CYTIDYLATE KINASE

(Mycolicibacterium
smegmatis) 		PF02224
(Cytidylate_kin) 		5 ALA A  59
LYS A  62
ASP A  66
ALA A  67
LEU A  82
 None
 0.87A 1iwhA-3r20A:
undetectable		 1iwhA-3r20A:
22.41
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.
3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00171
(Aldedh) 		4 ALA A 316
LYS A 319
ASP A 323
ALA A 324
 None
 0.40A 1iwhA-3rosA:
undetectable		 1iwhA-3rosA:
15.21
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.
3tcs RACEMASE, PUTATIVE

(Roseobacter
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 218
LYS A 221
ASP A 225
ALA A 226
 None
 0.40A 1iwhA-3tcsA:
undetectable		 1iwhA-3tcsA:
15.78
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.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		4 LYS A 135
LYS A 136
ASP A 139
ALA A 140
 None
 0.23A 1iwhA-3uavA:
undetectable		 1iwhA-3uavA:
24.31
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 ALA A 861
LYS A 864
ASP A 868
ALA A 869
LEU A 942
 None
 1.30A 1iwhA-3ummA:
undetectable		 1iwhA-3ummA:
8.26
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		4 ALA A 593
LYS A 596
ASP A 600
ALA A 601
 None
 0.40A 1iwhA-3ut2A:
undetectable		 1iwhA-3ut2A:
12.48
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.
3v57 PHYCOERYTHRIN ALPHA
SUBUNIT

(Porphyridium
purpureum) 		PF00502
(Phycobilisome) 		4 ALA A  50
LYS A  53
ASP A  57
ALA A  58
 PEB  A 202 (-3.5A)
None
None
None
 0.29A 1iwhA-3v57A:
9.1		 1iwhA-3v57A:
22.29
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		4 LYS A  49
LYS A  50
ASP A  53
ALA A  54
 None
 0.35A 1iwhA-3vupA:
undetectable		 1iwhA-3vupA:
18.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wtg HEMOGLOBIN SUBUNIT
ALPHA-A

(Dromaius
novaehollandiae) 		PF00042
(Globin) 		5 ALA A  57
LYS A  60
LYS A  61
ALA A  65
LEU A  83
 None
None
HEM  A 201 (-2.7A)
HEM  A 201 ( 3.8A)
HEM  A 201 ( 4.8A)
 0.73A 1iwhA-3wtgA:
25.6		 1iwhA-3wtgA:
68.79
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.
3zg1 NICKEL AND COBALT
RESISTANCE PROTEIN
CNRR

(Cupriavidus
metallidurans) 		PF13801
(Metal_resist) 		4 ALA A  79
LYS A  83
ASP A  86
ALA A  87
 None
 0.44A 1iwhA-3zg1A:
undetectable		 1iwhA-3zg1A:
22.29
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		4 ALA A 234
LYS A 237
ASP A 241
ALA A 242
 None
 0.28A 1iwhA-3zmrA:
undetectable		 1iwhA-3zmrA:
15.59
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.
4a22 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Mycobacterium
tuberculosis) 		PF01116
(F_bP_aldolase) 		4 ALA A  36
LYS A  39
ASP A  43
ALA A  44
 None
 0.29A 1iwhA-4a22A:
undetectable		 1iwhA-4a22A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 LYS A  88
LYS A  89
ASP A  92
ALA A  93
LEU A 235
 None
 1.10A 1iwhA-4adeA:
undetectable		 1iwhA-4adeA:
16.26
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.
4b2z OXYSTEROL-BINDING
PROTEIN HOMOLOG 6

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		4 LYS A 333
LYS A 334
ASP A 337
ALA A 338
 None
 0.36A 1iwhA-4b2zA:
undetectable		 1iwhA-4b2zA:
15.12
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 ALA A 566
LYS A 569
ASP A 573
ALA A 574
 None
 0.36A 1iwhA-4b3iA:
undetectable		 1iwhA-4b3iA:
12.65
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 ALA A   5
LYS A   8
ASP A  12
ALA A  13
 None
 0.45A 1iwhA-4bjuA:
undetectable		 1iwhA-4bjuA:
13.29
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.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ALA A 193
LYS A 196
ASP A 200
ALA A 201
 None
 0.32A 1iwhA-4cokA:
undetectable		 1iwhA-4cokA:
13.96
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.
4gip FUSION GLYCOPROTEIN
F1

(Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly) 		4 ALA D 455
LYS D 458
ASP D 462
ALA D 463
 None
 0.36A 1iwhA-4gipD:
undetectable		 1iwhA-4gipD:
16.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h2l ALPHA-GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		4 ALA A  57
ASP A  64
ALA A  65
LEU A  83
 None
None
HEM  A 201 ( 3.8A)
HEM  A 201 (-4.5A)
 0.41A 1iwhA-4h2lA:
27.4		 1iwhA-4h2lA:
85.11
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 ALA C 880
LYS C 883
ASP C 887
ALA C 888
LEU C 863
 None
None
GOL  C1102 ( 4.8A)
None
None
 1.36A 1iwhA-4hb4C:
undetectable		 1iwhA-4hb4C:
8.48
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.
4k7b EXTRINSIC PROTEIN IN
PHOTOSYSTEM II

(Chaetoceros
gracilis) 		no annotation 4 ALA A  77
LYS A  80
ASP A  84
ALA A  85
 None
 0.38A 1iwhA-4k7bA:
undetectable		 1iwhA-4k7bA:
23.33
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		4 LYS A  15
LYS A  16
ASP A  19
ALA A  20
 None
 0.29A 1iwhA-4ml9A:
undetectable		 1iwhA-4ml9A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4npf IMMUNOGLOBULIN
G-BINDING PROTEIN A

(Staphylococcus
aureus) 		no annotation 4 ALA Y  46
LYS Y  50
ASP Y  53
ALA Y  54
 None
 0.43A 1iwhA-4npfY:
undetectable		 1iwhA-4npfY:
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.
4po2 HEAT SHOCK 70 KDA
PROTEIN 1A/1B

(Homo sapiens) 		PF00012
(HSP70) 		4 ALA A 565
LYS A 568
LYS A 569
ASP A 572
 None
 0.32A 1iwhA-4po2A:
undetectable		 1iwhA-4po2A:
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.
4uop LIPOTEICHOIC ACID
PRIMASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		4 LYS A 586
LYS A 587
ASP A 590
ALA A 591
 None
 0.25A 1iwhA-4uopA:
undetectable		 1iwhA-4uopA:
15.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yu4 HEMOGLOBIN

(Helogale
parvula) 		PF00042
(Globin) 		6 ALA A  57
LYS A  60
LYS A  61
ASP A  64
ALA A  65
LEU A  83
 None
None
HEM  A 201 (-2.6A)
None
HEM  A 201 (-3.6A)
HEM  A 201 ( 4.7A)
 0.82A 1iwhA-4yu4A:
26.8		 1iwhA-4yu4A:
87.23
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.
4z0n PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Streptobacillus
moniliformis) 		PF13407
(Peripla_BP_4) 		4 ALA A 211
LYS A 214
ASP A 218
ALA A 219
 None
 0.23A 1iwhA-4z0nA:
undetectable		 1iwhA-4z0nA:
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.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 4 ALA A 310
LYS A 313
ASP A 317
ALA A 318
 None
 0.35A 1iwhA-4zh7A:
undetectable		 1iwhA-4zh7A:
16.05
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ALA A  45
LYS A  48
ASP A  52
ALA A  53
 None
 0.24A 1iwhA-4ztxA:
undetectable		 1iwhA-4ztxA:
11.56
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.
5b13 PHYCOERYTHRIN ALPHA
SUBUNIT

(Palmaria
palmata) 		PF00502
(Phycobilisome) 		4 ALA A  50
LYS A  53
ASP A  57
ALA A  58
 CYC  A 201 ( 4.0A)
None
None
None
 0.36A 1iwhA-5b13A:
8.8		 1iwhA-5b13A:
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.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		4 LYS A 108
LYS A 109
ASP A 112
ALA A 113
 None
 0.35A 1iwhA-5dkvA:
undetectable		 1iwhA-5dkvA:
19.44
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.
5ew5 COLICIN-E9

(Escherichia
coli) 		PF03515
(Cloacin) 		4 ALA A 414
LYS A 417
ASP A 421
ALA A 422
 None
 0.44A 1iwhA-5ew5A:
undetectable		 1iwhA-5ew5A:
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.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 ALA A 304
LYS A 307
ASP A 311
ALA A 312
 None
 0.40A 1iwhA-5f9aA:
undetectable		 1iwhA-5f9aA:
13.54
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.
5fb7 ENVELOPE
GLYCOPROTEIN

(Talaromyces
marneffei) 		PF12296
(HsbA) 		5 ALA A 145
LYS A 148
LYS A 149
ASP A 152
ALA A 153
 None
 0.64A 1iwhA-5fb7A:
2.1		 1iwhA-5fb7A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5giu PROLINE DIPEPTIDASE

(Deinococcus
radiodurans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ALA A 233
LYS A 236
ASP A 240
ALA A 241
 None
 0.24A 1iwhA-5giuA:
undetectable		 1iwhA-5giuA:
18.42
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.
5hzh RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE
1,NPH1-1,RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		4 ALA A 108
LYS A 112
ASP A 115
ALA A 116
 None
 0.37A 1iwhA-5hzhA:
undetectable		 1iwhA-5hzhA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		4 ALA B1366
LYS B1370
ASP B1373
ALA B1374
 None
 0.33A 1iwhA-5hzkB:
undetectable		 1iwhA-5hzkB:
14.14
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.
5idj CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ALA A 371
LYS A 368
ASP A 364
ALA A 363
LEU A 328
 None
 1.33A 1iwhA-5idjA:
undetectable		 1iwhA-5idjA:
17.41
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.
5ii0 CALCITONIN RECEPTOR

(Homo sapiens) 		PF02793
(HRM) 		4 LYS A  46
LYS A  47
ASP A  50
ALA A  51
 None
 0.20A 1iwhA-5ii0A:
undetectable		 1iwhA-5ii0A:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jgg ALPHA CHAIN

(Acipenser
persicus) 		PF00042
(Globin) 		5 LYS A  61
LYS A  62
ASP A  65
ALA A  66
LEU A  84
 None
HEM  A 201 (-3.9A)
None
HEM  A 201 ( 3.7A)
HEM  A 201 (-4.6A)
 0.54A 1iwhA-5jggA:
24.9		 1iwhA-5jggA:
59.15
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		4 ALA A 369
LYS A 372
ASP A 376
ALA A 377
 GOL  A 802 ( 3.7A)
None
None
None
 0.37A 1iwhA-5jjhA:
undetectable		 1iwhA-5jjhA:
12.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jnz ALPHA CHAIN

(Acipenser
stellatus) 		PF00042
(Globin) 		5 LYS A  61
LYS A  62
ASP A  65
ALA A  66
LEU A  84
 None
HEM  A 201 (-2.9A)
None
HEM  A 201 ( 3.8A)
HEM  A 201 (-4.6A)
 0.71A 1iwhA-5jnzA:
25.0		 1iwhA-5jnzA:
60.56
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.
5jt4 CYTOCHROME C'

(Achromobacter
xylosoxidans) 		PF01322
(Cytochrom_C_2) 		4 ALA A 114
LYS A 117
ASP A 121
ALA A 122
 None
 0.41A 1iwhA-5jt4A:
undetectable		 1iwhA-5jt4A:
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.
5k7f TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Myxococcus
xanthus) 		PF00440
(TetR_N) 		5 ALA A 129
LYS A 132
LYS A 133
ASP A 136
LEU A  77
 None
 0.97A 1iwhA-5k7fA:
undetectable		 1iwhA-5k7fA:
20.26
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		5 ALA A 810
LYS A 812
ASP A 816
ALA A 817
LEU A1078
 None
 1.11A 1iwhA-5szsA:
undetectable		 1iwhA-5szsA:
7.31
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.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 ALA A  75
LYS A  78
ASP A  82
ALA A  83
 None
 0.29A 1iwhA-5thkA:
undetectable		 1iwhA-5thkA:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wog HEMOGLOBIN SUBUNIT
ALPHA

(Homo sapiens) 		no annotation 5 LYS A  60
LYS A  61
ASP A  64
ALA A  65
LEU A  83
 None
HEM  A 201 (-2.5A)
None
HEM  A 201 ( 3.8A)
HEM  A 201 (-4.3A)
 0.56A 1iwhA-5wogA:
26.4		 1iwhA-5wogA:
86.25
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.
5yh5 NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		no annotation 4 LYS A  88
LYS A  89
ASP A  92
ALA A  93
 None
 0.23A 1iwhA-5yh5A:
undetectable		 1iwhA-5yh5A:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z1g RRNA-PROCESSING
PROTEIN EBP2

(Saccharomyces
cerevisiae) 		no annotation 4 ALA A 245
LYS A 248
ASP A 252
ALA A 253
 None
 0.38A 1iwhA-5z1gA:
undetectable		 1iwhA-5z1gA:
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.
6ewy PEPTIDOGLYCAN
ENDOPEPTIDASE RIPA

(Mycobacterium
tuberculosis) 		no annotation 4 ALA A 188
LYS A 191
ASP A 195
ALA A 196
 None
 0.38A 1iwhA-6ewyA:
undetectable		 1iwhA-6ewyA:
25.20