SIMILAR PATTERNS OF AMINO ACIDS FOR 2HMA_A_SAMA375

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.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		5 GLY A 168
SER A 395
SER A 401
ASP A 377
GLY A 399
 3PG  A 423 (-4.7A)
None
None
MG  A 422 ( 3.4A)
None
 1.48A 2hmaA-13pkA:
undetectable		 2hmaA-13pkA:
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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 180
SER A 643
ASP A 100
THR A 168
HIS A 147
 None
FLC  A 756 (-2.8A)
None
None
None
 1.40A 2hmaA-1b0kA:
undetectable		 2hmaA-1b0kA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		5 SER B 176
ASN B 170
THR B 152
GLY B 151
HIS B 150
 None
None
None
TAR  B 900 ( 4.7A)
None
 1.34A 2hmaA-1ccwB:
undetectable		 2hmaA-1ccwB:
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.
1cul TYPE II ADENYLYL
CYCLASE

(Rattus
norvegicus) 		PF00211
(Guanylate_cyc) 		5 GLY B 933
SER B 951
THR B 948
GLY B 949
HIS B 968
 None
 1.35A 2hmaA-1culB:
undetectable		 2hmaA-1culB:
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.
1dpb DIHYDROLIPOYL-TRANSA
CETYLASE

(Azotobacter
vinelandii) 		PF00198
(2-oxoacid_dh) 		5 GLY A 565
SER A 583
ASP A 508
GLY A 561
HIS A 562
 None
 1.02A 2hmaA-1dpbA:
undetectable		 2hmaA-1dpbA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4e VANCOMYCIN/TEICOPLAN
IN A-TYPE RESISTANCE
PROTEIN VANA

(Enterococcus
faecium) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 GLY B  12
SER B 102
GLY B 100
HIS B  99
PHE B 312
 None
None
None
PHY  B 355 ( 3.8A)
None
 1.25A 2hmaA-1e4eB:
undetectable		 2hmaA-1e4eB:
21.46
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 GLY A 114
ASP A 658
THR A 641
GLY A 642
GLN A 630
 PLP  A 999 ( 3.6A)
None
GLC  A 998 ( 4.0A)
PLP  A 999 (-3.4A)
None
 1.42A 2hmaA-1e4oA:
1.3		 2hmaA-1e4oA:
17.75
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.
1ffv CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 GLY C 114
SER C  36
ASN C  55
THR C 111
GLY C 110
 FAD  C1922 (-3.3A)
FAD  C1922 (-3.0A)
None
FAD  C1922 (-3.0A)
FAD  C1922 (-3.7A)
 1.19A 2hmaA-1ffvC:
undetectable		 2hmaA-1ffvC:
19.95
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.
1jfr LIPASE

(Streptomyces
exfoliatus) 		PF03403
(PAF-AH_p_II) 		5 GLY A 173
ASN A 213
THR A 154
GLY A 155
HIS A 130
 None
 1.40A 2hmaA-1jfrA:
undetectable		 2hmaA-1jfrA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 496
SER A 552
GLY A 526
HIS A 144
GLN A 140
 None
TPP  A 700 (-2.8A)
None
None
None
 1.20A 2hmaA-1jscA:
undetectable		 2hmaA-1jscA:
22.65
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.
1m1l SUPPRESSOR OF FUSED

(Homo sapiens) 		PF05076
(SUFU) 		5 SER A 114
ASP A 101
ASN A 102
THR A 108
GLY A 109
 None
 1.41A 2hmaA-1m1lA:
0.4		 2hmaA-1m1lA:
18.96
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.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE

(Saccharomyces
cerevisiae) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 381
SER A 127
THR A 380
HIS A 375
PHE A 346
 None
 1.41A 2hmaA-1pxtA:
undetectable		 2hmaA-1pxtA:
22.48
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		5 GLY A 359
SER A 354
ASN A 515
THR A 357
GLY A 355
 None
 1.33A 2hmaA-1t1eA:
undetectable		 2hmaA-1t1eA:
20.46
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 GLY A 145
SER A 101
SER A 175
THR A 147
GLY A 174
 None
FAD  A1561 (-2.7A)
FAD  A1561 (-4.9A)
None
FAD  A1561 (-3.3A)
 1.49A 2hmaA-1w1kA:
undetectable		 2hmaA-1w1kA:
19.76
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.
1zc6 PROBABLE
N-ACETYLGLUCOSAMINE
KINASE

(Chromobacterium
violaceum) 		PF01869
(BcrAD_BadFG) 		5 GLY A 149
SER A 133
GLY A 155
GLN A 165
PHE A 211
 None
 1.48A 2hmaA-1zc6A:
undetectable		 2hmaA-1zc6A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 220
SER A 779
ASP A 125
THR A 208
HIS A 178
 None
None
None
None
SF4  A1000 (-4.5A)
 1.48A 2hmaA-2b3xA:
undetectable		 2hmaA-2b3xA:
17.50
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.
2cqv MYOSIN LIGHT CHAIN
KINASE, SMOOTH
MUSCLE AND
NON-MUSCLE ISOZYMES

(Homo sapiens) 		PF07679
(I-set) 		5 GLY A 110
SER A 113
ASP A 102
THR A 107
GLY A 106
 None
 0.96A 2hmaA-2cqvA:
undetectable		 2hmaA-2cqvA:
14.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		7 GLY A  11
SER A  13
ASP A  99
THR A 126
GLY A 127
GLN A 151
PHE A 154
 None
SO4  A5001 (-3.1A)
U  C  35 ( 3.5A)
None
SO4  A5001 ( 3.8A)
U  C  34 ( 4.4A)
U  C  34 ( 3.7A)
 1.00A 2hmaA-2detA:
45.3		 2hmaA-2detA:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		10 GLY A  11
SER A  18
ASP A  99
ASN A 103
LYS A 107
THR A 126
GLY A 127
HIS A 128
GLN A 151
PHE A 154
 None
SO4  A5001 (-2.7A)
U  C  35 ( 3.5A)
U  C  34 ( 3.1A)
U  C  34 ( 3.0A)
None
SO4  A5001 ( 3.8A)
U  C  34 ( 3.6A)
U  C  34 ( 4.4A)
U  C  34 ( 3.7A)
 0.71A 2hmaA-2detA:
45.3		 2hmaA-2detA:
57.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej5 ENOYL-COA HYDRATASE
SUBUNIT II

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 ASP A  47
LYS A  97
THR A 203
GLY A 258
GLN A  14
 None
 1.40A 2hmaA-2ej5A:
undetectable		 2hmaA-2ej5A:
24.87
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 GLY A 135
ASP A 693
THR A 676
GLY A 677
GLN A 665
 PLR  A 940 ( 3.8A)
None
PLR  A 940 (-4.5A)
PLR  A 940 (-3.8A)
PLR  A 940 ( 4.4A)
 1.47A 2hmaA-2gj4A:
undetectable		 2hmaA-2gj4A:
18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hma PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF03054
(tRNA_Me_trans) 		11 GLY A  12
SER A  14
SER A  19
ASP A 100
ASN A 104
LYS A 108
THR A 126
GLY A 127
HIS A 128
GLN A 152
PHE A 155
 SAM  A 375 (-3.3A)
MG  A 374 ( 2.8A)
MG  A 374 ( 3.1A)
SAM  A 375 (-3.8A)
SAM  A 375 (-2.8A)
SAM  A 375 (-2.8A)
SAM  A 375 (-4.2A)
SAM  A 375 (-3.2A)
SAM  A 375 (-3.5A)
SAM  A 375 (-4.0A)
SAM  A 375 (-3.6A)
 0.00A 2hmaA-2hmaA:
61.5		 2hmaA-2hmaA:
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.
2j43 SPYDX

(Streptococcus
pyogenes) 		PF03714
(PUD) 		5 GLY A  43
SER A  37
ASP A  86
ASN A  82
GLY A  26
 None
 1.46A 2hmaA-2j43A:
undetectable		 2hmaA-2j43A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j44 ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF03714
(PUD) 		5 GLY A  43
SER A  37
ASP A  86
ASN A  82
GLY A  26
 None
None
GLC  A1230 (-2.7A)
GLC  A1229 ( 4.6A)
None
 1.48A 2hmaA-2j44A:
undetectable		 2hmaA-2j44A:
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.
2jer AGMATINE DEIMINASE

(Enterococcus
faecalis) 		PF04371
(PAD_porph) 		5 SER A 178
THR A 215
GLY A 217
HIS A 218
PHE A 161
 None
AGT  A 357 ( 4.3A)
None
None
None
 1.48A 2hmaA-2jerA:
undetectable		 2hmaA-2jerA:
22.85
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.
2oo4 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 2

(Homo sapiens) 		PF00066
(Notch)
PF06816
(NOD)
PF07684
(NODP) 		5 SER A1660
ASN A1493
THR A1658
HIS A1653
PHE A1494
 None
 1.45A 2hmaA-2oo4A:
undetectable		 2hmaA-2oo4A:
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.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		5 GLY A 591
SER A 684
ASN A 697
THR A 589
GLN A 770
 None
RIE  A 876 (-2.5A)
None
None
None
 1.34A 2hmaA-2r4fA:
undetectable		 2hmaA-2r4fA:
21.52
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 115
SER A 169
SER A 173
THR A 114
GLY A 113
 None
 1.14A 2hmaA-2wgeA:
undetectable		 2hmaA-2wgeA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wua ACETOACETYL COA
THIOLASE

(Helianthus
annuus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 397
SER A 138
THR A 396
HIS A 391
PHE A 362
 None
 1.38A 2hmaA-2wuaA:
undetectable		 2hmaA-2wuaA:
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.
2yjg LACTATE RACEMASE
APOPROTEIN

(Thermoanaerobacterium
thermosaccharolyticum) 		PF09861
(DUF2088) 		5 GLY A 110
ASN A 156
THR A 105
GLY A 106
HIS A 133
 None
 1.48A 2hmaA-2yjgA:
undetectable		 2hmaA-2yjgA:
22.75
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.
2ztg ALANYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 GLY A 299
THR A 138
GLY A 139
HIS A 141
PHE A 145
 None
None
None
A5A  A 801 (-4.7A)
A5A  A 801 (-3.5A)
 1.43A 2hmaA-2ztgA:
undetectable		 2hmaA-2ztgA:
18.67
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 GLY A 300
THR A 138
GLY A 139
HIS A 141
PHE A 145
 None
None
None
A5A  A 999 (-4.8A)
A5A  A 999 (-3.4A)
 1.46A 2hmaA-2zzgA:
undetectable		 2hmaA-2zzgA:
19.65
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.
3aup BASIC 7S GLOBULIN

(Glycine max) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 GLY A 362
SER A 265
ASP A  17
ASN A  16
HIS A  23
 None
 1.23A 2hmaA-3aupA:
undetectable		 2hmaA-3aupA:
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.
3bl5 QUEUOSINE
BIOSYNTHESIS PROTEIN
QUEC

(Bacillus
subtilis) 		PF06508
(QueC) 		5 SER A  11
SER A  16
ASN A  98
THR A 119
GLY A 120
 MG  A 400 (-3.0A)
MG  A 400 (-3.0A)
None
None
None
 0.79A 2hmaA-3bl5A:
10.3		 2hmaA-3bl5A:
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.
3cny INOSITOL CATABOLISM
PROTEIN IOLE

(Lactobacillus
plantarum) 		PF01261
(AP_endonuc_2) 		5 GLY A 165
ASP A 189
THR A 164
GLY A 163
HIS A 161
 None
 1.40A 2hmaA-3cnyA:
undetectable		 2hmaA-3cnyA:
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 GLY A 556
ASP A 542
ASN A 543
GLY A 569
PHE A 575
 None
3CU  A1001 ( 2.5A)
None
None
3CU  A1001 (-4.5A)
 1.21A 2hmaA-3cttA:
undetectable		 2hmaA-3cttA:
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.
3e2n CYTOCHROME C
PEROXIDASE

(Pisum sativum;
Saccharomyces
cerevisiae) 		PF00141
(peroxidase) 		5 GLY A  57
SER A  59
ASN A  75
THR A  49
GLY A  48
 None
 1.24A 2hmaA-3e2nA:
undetectable		 2hmaA-3e2nA:
20.78
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.
3ez1 AMINOTRANSFERASE
MOCR FAMILY

(Deinococcus
geothermalis) 		PF12897
(Aminotran_MocR) 		5 GLY A 261
SER A 249
GLY A 259
HIS A 292
PHE A 295
 None
PO4  A 423 (-2.7A)
None
None
None
 1.42A 2hmaA-3ez1A:
undetectable		 2hmaA-3ez1A:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		5 GLY 1 294
SER 1 296
ASP 1  94
THR 1 325
GLY 1  67
 None
None
FMN  1 440 (-4.4A)
None
None
 1.22A 2hmaA-3i9v1:
undetectable		 2hmaA-3i9v1:
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 GLY A 585
ASP A 571
ASN A 572
GLY A 598
PHE A 604
 None
TRS  A6001 ( 3.7A)
None
None
TRS  A6001 (-4.4A)
 1.41A 2hmaA-3lppA:
undetectable		 2hmaA-3lppA:
19.56
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.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		5 GLY A 226
ASP A 294
THR A 215
GLY A 216
HIS A 252
 None
M3R  A 430 (-3.2A)
None
None
ZN  A   2 ( 3.2A)
 1.28A 2hmaA-3mtwA:
undetectable		 2hmaA-3mtwA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0u PROBABLE
N-GLYCOSYLASE/DNA
LYASE

(Thermotoga
maritima) 		no annotation 5 GLY A  56
SER A  52
ASN A 137
THR A  48
HIS A 133
 None
 1.16A 2hmaA-3n0uA:
undetectable		 2hmaA-3n0uA:
20.16
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.
3oc4 OXIDOREDUCTASE,
PYRIDINE
NUCLEOTIDE-DISULFIDE
FAMILY

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A   7
SER A   9
THR A 109
GLY A 110
PHE A 131
 FAD  A 500 (-3.2A)
FAD  A 500 (-2.5A)
FAD  A 500 (-3.6A)
FAD  A 500 (-3.3A)
None
 1.39A 2hmaA-3oc4A:
undetectable		 2hmaA-3oc4A:
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 GLY A 334
SER A 372
THR A 335
GLY A 336
GLN A  35
 None
 1.00A 2hmaA-3sl1A:
undetectable		 2hmaA-3sl1A:
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.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 353
SER A  90
THR A 352
HIS A 347
PHE A 318
 CSO  A  88 ( 4.4A)
CSO  A  88 ( 4.7A)
None
CSO  A  88 ( 4.7A)
None
 1.35A 2hmaA-3ss6A:
undetectable		 2hmaA-3ss6A:
24.14
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.
3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 GLY A  41
SER A  91
THR A  36
GLY A  37
GLN A  32
 None
None
SO4  A 469 ( 4.7A)
SO4  A 468 ( 3.8A)
None
 1.10A 2hmaA-3sybA:
undetectable		 2hmaA-3sybA:
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 GLY A1540
ASP A1526
ASN A1527
GLY A1553
PHE A1559
 None
ACR  A   1 (-2.8A)
None
None
ACR  A   1 (-4.3A)
 1.09A 2hmaA-3topA:
undetectable		 2hmaA-3topA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v48 PUTATIVE
AMINOACRYLATE
HYDROLASE RUTD

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		5 GLY A  26
SER A  20
GLY A  24
GLN A 173
PHE A 172
 None
None
None
SCN  A 269 ( 4.8A)
None
 1.28A 2hmaA-3v48A:
undetectable		 2hmaA-3v48A:
20.57
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.
3vrh PUTATIVE
UNCHARACTERIZED
PROTEIN PH0300

(Pyrococcus
horikoshii) 		PF01171
(ATP_bind_3) 		5 SER A  55
SER A  60
THR A 153
GLY A 154
HIS A 155
 BCN  A 403 (-2.9A)
BCN  A 403 (-2.6A)
BCN  A 403 (-4.1A)
BCN  A 403 (-3.7A)
BCN  A 403 ( 3.9A)
 0.45A 2hmaA-3vrhA:
10.4		 2hmaA-3vrhA:
22.65
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		5 GLY A  72
SER A  74
ASN A  43
GLY A  70
GLN A  86
 None
None
NHE  A 401 (-3.8A)
None
None
 1.41A 2hmaA-3wibA:
undetectable		 2hmaA-3wibA:
20.78
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 GLY A 299
THR A 138
GLY A 139
HIS A 141
PHE A 145
 None
None
None
A5A  A1001 (-4.2A)
A5A  A1001 (-3.5A)
 1.42A 2hmaA-3wqyA:
undetectable		 2hmaA-3wqyA:
18.52
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 SER A 302
SER A 181
ASN A 123
GLY A 179
HIS A 178
 None
 1.49A 2hmaA-3wsvA:
undetectable		 2hmaA-3wsvA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Pseudomonas sp.
VM15C) 		no annotation 5 GLY A 174
SER A  66
SER A 172
ASN A 120
THR A 176
 None
AE3  A 900 ( 4.0A)
AE3  A 900 (-3.0A)
AE3  A 900 (-3.4A)
AE3  A 900 ( 4.8A)
 1.41A 2hmaA-3wweA:
undetectable		 2hmaA-3wweA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY B 379
SER B 343
ASN B  51
GLY B 382
HIS B 386
 IMP  B1527 (-3.5A)
IMP  B1527 (-2.6A)
None
None
None
 1.28A 2hmaA-4af0B:
undetectable		 2hmaA-4af0B:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9a PROBABLE EPOXIDE
HYDROLASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 GLY A  68
SER A  70
THR A  42
HIS A  43
PHE A  10
 None
 1.39A 2hmaA-4b9aA:
undetectable		 2hmaA-4b9aA:
23.25
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.
4bi9 3-KETOACYL-COA
THIOLASE, PUTATIVE

(Trypanosoma
brucei) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 391
SER A 122
THR A 390
HIS A 385
PHE A 338
 None
 1.45A 2hmaA-4bi9A:
undetectable		 2hmaA-4bi9A:
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.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		5 SER A 130
SER A  70
ASN A 276
THR A 237
GLY A 236
 SO4  A 291 (-2.8A)
NA  A 294 ( 2.5A)
None
SO4  A 291 ( 3.4A)
NA  A 294 ( 3.2A)
 1.37A 2hmaA-4c75A:
undetectable		 2hmaA-4c75A:
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.
4eze HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Salmonella
enterica) 		PF12710
(HAD) 		5 GLY A 260
THR A 261
GLY A 262
HIS A 277
PHE A  76
 None
 1.14A 2hmaA-4ezeA:
undetectable		 2hmaA-4ezeA:
20.16
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.
4frz KINESIN-LIKE
CALMODULIN-BINDING
PROTEIN

(Arabidopsis
thaliana) 		PF00225
(Kinesin) 		5 GLY A1151
SER A1155
ASP A1252
GLY A1156
GLN A1158
 None
 1.42A 2hmaA-4frzA:
undetectable		 2hmaA-4frzA:
22.73
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.
4g8d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Ochrobactrum
sp. T63) 		PF00561
(Abhydrolase_1) 		5 GLY A  61
ASN A  33
THR A 180
GLY A 182
PHE A 189
 None
 1.45A 2hmaA-4g8dA:
undetectable		 2hmaA-4g8dA:
23.31
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.
4i6m ACTIN-RELATED
PROTEIN 7

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 GLY A  75
SER A 162
SER A  14
GLY A  13
HIS A  11
 PO4  A 506 ( 3.8A)
PO4  A 506 (-2.8A)
PO4  A 506 (-2.9A)
PO4  A 505 (-3.5A)
PO4  A 505 (-4.2A)
 1.45A 2hmaA-4i6mA:
undetectable		 2hmaA-4i6mA:
21.97
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 GLY A 462
SER A 466
ASN A 416
THR A 443
GLY A 423
 None
 1.49A 2hmaA-4i8qA:
2.0		 2hmaA-4i8qA:
21.48
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.
4jzy CRYPTOCHROME-1

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A  44
SER A  46
THR A  49
GLY A  48
PHE A  59
 None
 1.45A 2hmaA-4jzyA:
3.4		 2hmaA-4jzyA:
22.50
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.
4kmh SUPPRESSOR OF FUSED
HOMOLOG

(Homo sapiens) 		PF05076
(SUFU)
PF12470
(SUFU_C) 		5 SER A 114
ASP A 101
ASN A 102
THR A 108
GLY A 109
 None
 1.45A 2hmaA-4kmhA:
0.2		 2hmaA-4kmhA:
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.
4kr9 PROBABLE TRNA
SULFURTRANSFERASE

(Thermotoga
maritima) 		PF02568
(ThiI)
PF02926
(THUMP) 		5 SER A 182
SER A 187
THR A 285
GLY A 286
GLN A 295
 None
 0.74A 2hmaA-4kr9A:
12.1		 2hmaA-4kr9A:
22.54
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 GLY A 242
SER A 443
THR A 240
HIS A 198
GLN A 200
 None
 1.36A 2hmaA-4lglA:
undetectable		 2hmaA-4lglA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mu9 GLYCOSIDE HYDROLASE
FAMILY 73

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		5 GLY A 363
ASP A 311
ASN A 316
GLY A 358
PHE A 315
 None
 1.08A 2hmaA-4mu9A:
undetectable		 2hmaA-4mu9A:
22.80
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		5 GLY A  85
ASP A 216
ASN A 108
THR A  64
GLY A  65
 None
 1.20A 2hmaA-4ne4A:
undetectable		 2hmaA-4ne4A:
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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 GLY A 504
SER A 523
ASN A 363
THR A 503
GLY A 502
 None
None
None
None
CA  A 601 ( 4.2A)
 1.46A 2hmaA-4ovdA:
undetectable		 2hmaA-4ovdA:
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.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 5 GLY B 348
SER B  89
ASP B 112
THR B  92
GLY B  91
 None
 1.33A 2hmaA-4pl2B:
undetectable		 2hmaA-4pl2B:
21.58
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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 GLY A 386
ASN A 127
THR A 385
GLY A 311
PHE A 174
 None
 1.28A 2hmaA-4qljA:
1.4		 2hmaA-4qljA:
23.35
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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 GLY A 168
SER A 172
THR A 161
GLY A 173
HIS A 159
 None
 1.33A 2hmaA-4ryeA:
undetectable		 2hmaA-4ryeA:
23.42
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.
4twr NAD BINDING
SITE:NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E:UDP-GLUCOSE
4-EPIMERASE

(Brucella
abortus) 		PF01370
(Epimerase) 		5 GLY A  97
SER A 101
THR A  99
HIS A  74
PHE A  75
 None
 1.38A 2hmaA-4twrA:
3.1		 2hmaA-4twrA:
23.92
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.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 GLY A 463
SER A 466
SER A 513
ASP A 481
THR A 562
 None
 1.16A 2hmaA-4wd9A:
undetectable		 2hmaA-4wd9A:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Streptococcus
thermophilus) 		PF00464
(SHMT) 		5 SER A  93
SER A  91
THR A 221
GLY A 231
HIS A 223
 CIT  A 501 (-2.7A)
CIT  A 501 (-3.8A)
CIT  A 501 (-4.5A)
None
CIT  A 501 (-3.8A)
 1.39A 2hmaA-4wxbA:
undetectable		 2hmaA-4wxbA:
21.95
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.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		5 SER A 311
ASP A 343
THR A 309
GLY A 310
PHE A 663
 ATP  A1102 (-4.4A)
None
ATP  A1102 (-3.7A)
ATP  A1102 (-3.2A)
None
 1.45A 2hmaA-4xjxA:
undetectable		 2hmaA-4xjxA:
17.07
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 438
SER A 187
THR A 439
GLY A 440
GLN A 444
 None
None
None
None
MCN  A 801 (-3.9A)
 1.45A 2hmaA-4zohA:
undetectable		 2hmaA-4zohA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 366
SER A  92
THR A 365
HIS A 360
PHE A 328
 None
 1.44A 2hmaA-5bz4A:
undetectable		 2hmaA-5bz4A:
21.33
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.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		5 GLY A 393
SER A 395
ASN A 500
THR A 411
GLY A 410
 PAU  A 602 (-3.3A)
PAU  A 602 (-3.1A)
None
None
PAU  A 602 (-3.3A)
 1.42A 2hmaA-5e26A:
undetectable		 2hmaA-5e26A:
20.40
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.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		5 SER A 131
SER A  70
ASP A 219
THR A 238
GLY A 237
 ACT  A 311 (-3.0A)
ACT  A 311 (-3.2A)
None
ACT  A 311 (-3.8A)
ACT  A 311 (-3.2A)
 0.98A 2hmaA-5e43A:
undetectable		 2hmaA-5e43A:
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.
5exp TRANSCRIPTIONAL
REGULATOR FLEQ

(Pseudomonas
aeruginosa) 		PF00158
(Sigma54_activat) 		5 GLY A 174
SER A 176
ASP A 357
THR A 178
GLY A 177
 None
None
None
SO4  A 401 (-4.4A)
SO4  A 401 ( 3.4A)
 1.24A 2hmaA-5expA:
undetectable		 2hmaA-5expA:
22.02
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.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY C 151
SER C 148
ASN C  15
GLY C 145
GLN C  12
 None
 1.35A 2hmaA-5flzC:
undetectable		 2hmaA-5flzC:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY C 151
SER C 148
ASN C  15
THR C 146
GLY C 145
 None
 1.33A 2hmaA-5flzC:
undetectable		 2hmaA-5flzC:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 137
SER A 144
SER A 133
ASP A 107
THR A 136
 None
 1.11A 2hmaA-5fokA:
undetectable		 2hmaA-5fokA:
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.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 GLY A 303
ASP A 188
ASN A 186
THR A 320
GLY A 321
 None
 1.45A 2hmaA-5g5zA:
undetectable		 2hmaA-5g5zA:
22.18
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.
5gha SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3) 		5 SER A  55
SER A  60
THR A 155
GLY A 156
HIS A 157
 None
 0.48A 2hmaA-5ghaA:
9.9		 2hmaA-5ghaA:
22.31
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.
5hb3 NUCLEOPORIN NIC96

(Chaetomium
thermophilum) 		PF04097
(Nic96) 		5 GLY A 433
ASP A 704
GLY A 437
HIS A 436
PHE A 732
 None
 1.38A 2hmaA-5hb3A:
undetectable		 2hmaA-5hb3A:
19.01
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.
5hha PVDO

(Pseudomonas
aeruginosa) 		PF03781
(FGE-sulfatase) 		5 GLY A 187
SER A 189
ASP A 210
ASN A 214
GLY A 191
 CA  A 301 (-4.3A)
None
None
None
None
 1.40A 2hmaA-5hhaA:
undetectable		 2hmaA-5hhaA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hr6 RLMN METHYLASE

(Escherichia
coli) 		PF04055
(Radical_SAM) 		5 GLY A 348
SER A  89
ASP A 112
THR A  92
GLY A  91
 None
 1.44A 2hmaA-5hr6A:
undetectable		 2hmaA-5hr6A:
21.48
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.
5jz8 ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
COAGULATION FACTOR X

(Homo sapiens;
Homo sapiens) 		PF05118
(Asp_Arg_Hydrox)
PF13181
(TPR_8)
PF13432
(TPR_16)
PF00008
(EGF) 		5 GLY B 104
ASP A 524
GLY B 106
HIS A 530
PHE A 527
 None
 1.34A 2hmaA-5jz8B:
undetectable		 2hmaA-5jz8B:
9.70
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.
5k4p PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 GLY A 467
SER A 469
THR A 283
GLY A 479
PHE A 484
 None
None
SOR  A 611 (-3.5A)
SOR  A 611 (-3.8A)
None
 1.18A 2hmaA-5k4pA:
undetectable		 2hmaA-5k4pA:
22.43
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 394
SER A 125
THR A 393
HIS A 388
PHE A 341
 None
None
None
CAA  A 501 (-4.1A)
CAA  A 501 ( 4.6A)
 1.44A 2hmaA-5lnqA:
undetectable		 2hmaA-5lnqA:
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.
5mji BRAMP DOMAIN PROTEIN

(Streptomyces
davaonensis) 		PF03358
(FMN_red) 		5 ASP A 136
ASN A  94
THR A 144
GLY A 143
HIS A 140
 None
 1.48A 2hmaA-5mjiA:
undetectable		 2hmaA-5mjiA:
24.48
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 142
SER A 144
ASN A 479
GLY A 130
GLN A 481
 None
 1.30A 2hmaA-5necA:
undetectable		 2hmaA-5necA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o6b ATP-DEPENDENT DNA
HELICASE PIF1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 258
THR A 262
GLY A 261
GLN A 418
PHE A 424
 None
ADP  A1001 (-4.3A)
ADP  A1001 ( 3.3A)
None
None
 1.32A 2hmaA-5o6bA:
undetectable		 2hmaA-5o6bA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ode GLL2934 PROTEIN

(Gloeobacter
violaceus) 		no annotation 5 GLY A  24
SER A  51
LYS A  46
GLY A 126
HIS A 252
 FAD  A 400 (-2.9A)
FAD  A 400 (-3.2A)
FAD  A 401 ( 2.7A)
FAD  A 400 ( 3.7A)
FAD  A 400 (-3.4A)
 1.38A 2hmaA-5odeA:
undetectable		 2hmaA-5odeA:
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.
5udb MINICHROMOSOME
MAINTENANCE PROTEIN
5

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 GLY 5 416
ASN 5 381
THR 5 420
GLY 5 419
PHE 5 379
 None
 1.13A 2hmaA-5udb5:
undetectable		 2hmaA-5udb5:
17.29
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.
5zov -

(-) 		no annotation 5 SER A 295
THR A 133
GLY A 134
HIS A 135
GLN A 139
 None
None
None
ASC  A 501 (-4.0A)
ASC  A 501 (-3.1A)
 1.45A 2hmaA-5zovA:
undetectable		 2hmaA-5zovA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 GLY A 342
SER A  87
THR A 341
HIS A 336
PHE A 287
 None
 1.37A 2hmaA-6et9A:
undetectable		 2hmaA-6et9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Skeletonema
marinoi) 		no annotation 5 GLY A 408
ASP A 202
LYS A 175
THR A 409
GLY A 419
 None
HLU  A 174 ( 3.9A)
HLU  A 174 ( 3.7A)
None
None
 0.95A 2hmaA-6ftlA:
undetectable		 2hmaA-6ftlA:
undetectable