SIMILAR PATTERNS OF AMINO ACIDS FOR 3H52_C_486C4

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.
1d1d PROTEIN (CAPSID
PROTEIN)

(Rous sarcoma
virus) 		PF00607
(Gag_p24) 		5 LEU A 106
GLY A 108
GLN A 120
VAL A 114
LEU A  49
 None
 1.48A 3h52C-1d1dA:
undetectable		 3h52C-1d1dA:
20.50
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.
1jl2 CHIMERA OF
RIBONUCLEASE HI,
RIBONUCLEASE H

(Escherichia
coli;
Thermus
thermophilus) 		PF00075
(RNase_H) 		5 VAL A  99
TRP A  91
LEU A 104
ARG A  46
MET A 112
 None
 1.48A 3h52C-1jl2A:
undetectable		 3h52C-1jl2A:
18.47
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 GLN A 204
LEU A 227
PHE A 231
MET A 274
MET A 289
 None
 1.45A 3h52C-1qs8A:
undetectable		 3h52C-1qs8A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r20 ULTRASPIRACLE
PROTEIN

(Heliothis
virescens) 		PF00104
(Hormone_recep) 		5 LEU A 249
GLY A 253
GLN A 256
TRP A 286
ARG A 297
 EPH  A4000 (-4.4A)
EPH  A4000 ( 4.4A)
None
None
None
 0.91A 3h52C-1r20A:
19.2		 3h52C-1r20A:
27.94
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.
1stz HEAT-INDUCIBLE
TRANSCRIPTION
REPRESSOR HRCA
HOMOLOG

(Thermotoga
maritima) 		PF01628
(HrcA) 		5 LEU A 122
GLY A 124
VAL A 135
ARG A 139
PHE A 121
 None
 1.43A 3h52C-1stzA:
undetectable		 3h52C-1stzA:
23.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLY A 708
GLN A 711
MET A 742
ARG A 752
PHE A 764
MET A 787
 BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
BHM  A   1 (-3.6A)
 0.92A 3h52C-2ax9A:
24.1		 3h52C-2ax9A:
48.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 704
GLY A 708
GLN A 711
ARG A 752
PHE A 764
MET A 787
 BHM  A   1 (-4.0A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
BHM  A   1 (-3.6A)
 0.81A 3h52C-2ax9A:
24.1		 3h52C-2ax9A:
48.83
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.
2epj GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Aeropyrum
pernix) 		PF00202
(Aminotran_3) 		5 LEU A 251
GLY A 258
LEU A 226
ARG A 223
PHE A 260
 None
 1.41A 3h52C-2epjA:
undetectable		 3h52C-2epjA:
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.
2i10 PUTATIVE TETR
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 LEU A  89
GLY A  91
LEU A  72
PHE A  88
MET A 132
 None
 1.28A 3h52C-2i10A:
undetectable		 3h52C-2i10A:
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.
2i10 PUTATIVE TETR
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 LEU A  89
GLY A  91
VAL A  95
LEU A  72
MET A 132
 None
 1.46A 3h52C-2i10A:
undetectable		 3h52C-2i10A:
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.
2ozz HYPOTHETICAL PROTEIN
YHFZ

(Shigella
flexneri) 		PF14503
(YhfZ_C) 		5 LEU A  34
GLY A  29
GLN A 216
VAL A 219
LEU A 213
 None
 1.36A 3h52C-2ozzA:
undetectable		 3h52C-2ozzA:
23.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		7 GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
PHE A  92
MET A 115
 1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
None
1CA  A 247 ( 3.7A)
 0.62A 3h52C-2q3yA:
26.6		 3h52C-2q3yA:
63.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		6 LEU A  32
GLN A  39
TRP A  69
ARG A  80
PHE A  92
MET A 115
 1CA  A 247 (-4.0A)
1CA  A 247 (-3.1A)
None
1CA  A 247 (-3.8A)
None
1CA  A 247 ( 3.7A)
 0.91A 3h52C-2q3yA:
26.6		 3h52C-2q3yA:
63.53
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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 LEU A 720
GLY A 784
TRP A 755
LEU A 747
PHE A 782
 None
 1.49A 3h52C-2y6iA:
undetectable		 3h52C-2y6iA:
15.70
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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 LEU A 720
VAL A 785
TRP A 755
LEU A 747
PHE A 782
 None
 1.46A 3h52C-2y6iA:
undetectable		 3h52C-2y6iA:
15.70
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A2045
GLY A2043
GLN A2078
VAL A2079
PHE A2270
 None
 1.32A 3h52C-3cmvA:
undetectable		 3h52C-3cmvA:
11.14
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.
3hin PUTATIVE
3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Rhodopseudomonas
palustris) 		PF00378
(ECH_1) 		5 GLY A  74
TRP A  95
MET A  45
LEU A  31
PHE A  71
 None
 1.26A 3h52C-3hinA:
undetectable		 3h52C-3hinA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hin PUTATIVE
3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Rhodopseudomonas
palustris) 		PF00378
(ECH_1) 		5 GLY A 120
TRP A  95
MET A  45
LEU A  31
PHE A  71
 None
 1.49A 3h52C-3hinA:
undetectable		 3h52C-3hinA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLY A 722
MET A 756
LEU A 763
ARG A 766
PHE A 778
MET A 801
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
None
WOW  A   1 (-4.2A)
 0.81A 3h52C-3kbaA:
26.9		 3h52C-3kbaA:
53.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 718
GLY A 722
LEU A 763
ARG A 766
PHE A 778
MET A 801
 WOW  A   1 (-4.2A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
None
WOW  A   1 (-4.2A)
 0.97A 3h52C-3kbaA:
26.9		 3h52C-3kbaA:
53.33
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.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 LEU A  52
VAL A  25
LEU A 110
PHE A  56
MET A 103
 None
 1.33A 3h52C-3p0fA:
undetectable		 3h52C-3p0fA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		8 GLY A  36
GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
PHE A  92
MET A 115
 1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
None
1CA  A 249 (-3.6A)
 0.74A 3h52C-3ry9A:
25.6		 3h52C-3ry9A:
70.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		7 LEU A  32
GLY A  36
GLN A  39
TRP A  69
ARG A  80
PHE A  92
MET A 115
 1CA  A 249 (-3.9A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 (-3.5A)
None
1CA  A 249 (-3.6A)
 0.97A 3h52C-3ry9A:
25.6		 3h52C-3ry9A:
70.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sy8 ROCR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00563
(EAL) 		5 GLY A 154
GLN A 209
LEU A 206
PHE A 156
MET A 197
 None
 1.41A 3h52C-3sy8A:
undetectable		 3h52C-3sy8A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 LEU A  37
GLY A 440
VAL A 398
LEU A 428
PHE A  31
 None
 1.11A 3h52C-3vilA:
undetectable		 3h52C-3vilA:
20.25
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 LEU A 720
GLY A 784
TRP A 755
LEU A 747
PHE A 782
 None
 1.47A 3h52C-4areA:
undetectable		 3h52C-4areA:
16.52
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 LEU A 720
VAL A 785
TRP A 755
LEU A 747
PHE A 782
 None
 1.39A 3h52C-4areA:
undetectable		 3h52C-4areA:
16.52
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.
4bqm GLUTAMINASE LIVER
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 LEU A 422
GLY A 430
VAL A 428
LEU A 390
MET A 398
 None
 1.43A 3h52C-4bqmA:
undetectable		 3h52C-4bqmA:
19.89
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.
4c1l 2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus) 		PF00793
(DAHP_synth_1) 		5 LEU A  46
GLY A  50
TRP A 260
LEU A 249
PHE A  45
 None
 1.36A 3h52C-4c1lA:
undetectable		 3h52C-4c1lA:
20.07
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.
4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus;
Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		5 LEU A 117
GLY A 121
TRP A 331
LEU A 320
PHE A 116
 None
 1.33A 3h52C-4grsA:
undetectable		 3h52C-4grsA:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 GLY A 567
GLN A 570
VAL A 571
TRP A 600
MET A 601
LEU A 608
ARG A 611
PHE A 623
MET A 646
 MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
None
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.7A)
MOF  A 801 (-4.4A)
 0.66A 3h52C-4p6wA:
26.8		 3h52C-4p6wA:
94.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLY A 568
GLN A 570
VAL A 571
TRP A 600
MET A 601
 None
MOF  A 801 (-2.9A)
None
None
MOF  A 801 (-3.7A)
 1.02A 3h52C-4p6wA:
26.8		 3h52C-4p6wA:
94.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 LEU A 563
GLY A 567
GLN A 570
VAL A 571
TRP A 600
MET A 601
PHE A 623
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.7A)
 0.99A 3h52C-4p6wA:
26.8		 3h52C-4p6wA:
94.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 627
GLN A 570
LEU A 608
PHE A 623
MET A 646
 None
MOF  A 801 (-2.9A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.7A)
MOF  A 801 (-4.4A)
 1.33A 3h52C-4p6wA:
26.8		 3h52C-4p6wA:
94.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 GLN A 776
TRP A 806
MET A 807
LEU A 814
ARG A 817
PHE A 829
MET A 852
 CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 (-4.9A)
CV7  A1987 ( 3.7A)
 0.62A 3h52C-4udbA:
25.5		 3h52C-4udbA:
55.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 769
GLN A 776
TRP A 806
PHE A 829
MET A 852
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.0A)
None
CV7  A1987 (-4.9A)
CV7  A1987 ( 3.7A)
 1.00A 3h52C-4udbA:
25.5		 3h52C-4udbA:
55.21
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 LEU A 483
GLY A 561
VAL A 610
TRP A 391
MET A 470
 None
 1.24A 3h52C-5f7uA:
undetectable		 3h52C-5f7uA:
12.03
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.
5gnw BLR0248 PROTEIN

(Bradyrhizobium
diazoefficiens) 		no annotation 5 LEU C 225
GLY C  79
LEU C 190
PHE C 220
MET C 189
 None
 1.32A 3h52C-5gnwC:
undetectable		 3h52C-5gnwC:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1y PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00270
(DEAD) 		5 LEU A 193
GLY A 195
LEU A 284
MET A 186
MET A 241
 None
 1.33A 3h52C-5h1yA:
undetectable		 3h52C-5h1yA:
23.18
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.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		5 LEU A 140
GLY A 144
ARG A 227
PHE A 262
MET A 207
 None
 1.31A 3h52C-5j90A:
undetectable		 3h52C-5j90A:
17.65
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.
5k4p PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 LEU A 316
GLY A 320
ARG A 235
PHE A 526
MET A 388
 None
ZN  A 608 ( 4.6A)
None
None
None
 1.19A 3h52C-5k4pA:
undetectable		 3h52C-5k4pA:
19.18
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.
5kem BDBV91 VARIABLE FAB
DOMAIN HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 GLY B  49
GLN B  61
VAL B  37
ARG B  64
PHE B  63
 None
 1.13A 3h52C-5kemB:
undetectable		 3h52C-5kemB:
19.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 6 GLN A 776
TRP A 806
MET A 807
LEU A 814
ARG A 817
MET A 852
 ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
 1.22A 3h52C-5mwpA:
25.2		 3h52C-5mwpA:
53.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 6 GLN A 776
TRP A 806
MET A 807
LEU A 814
ARG A 817
PHE A 829
 ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.9A)
 0.61A 3h52C-5mwpA:
25.2		 3h52C-5mwpA:
53.73
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.
5mx9 PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-2

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 LEU A 316
GLY A 320
ARG A 235
PHE A 525
MET A 388
 None
 1.22A 3h52C-5mx9A:
undetectable		 3h52C-5mx9A:
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.
5tlc DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME A

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 LEU A 408
VAL A 416
LEU A  55
PHE A  13
MET A  94
 None
 1.35A 3h52C-5tlcA:
undetectable		 3h52C-5tlcA:
20.80
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.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 298
TRP A 335
LEU A 343
ARG A 346
PHE A 356
 EST  A 601 (-4.1A)
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.9A)
 0.98A 3h52C-5toaA:
20.4		 3h52C-5toaA:
29.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 8 GLY A 563
GLN A 566
VAL A 567
MET A 597
LEU A 604
ARG A 607
PHE A 619
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 (-4.7A)
486  A 801 ( 3.8A)
 0.65A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 8 GLY A 563
GLN A 566
VAL A 567
TRP A 596
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.71A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 GLY A 564
GLN A 566
VAL A 567
TRP A 596
MET A 597
 486  A 801 ( 3.8A)
486  A 801 (-2.8A)
None
None
CPS  A 803 ( 3.9A)
 1.07A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 LEU A 559
GLY A 563
VAL A 567
MET A 597
PHE A 619
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-4.7A)
 1.07A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 LEU A 559
GLY A 563
VAL A 567
TRP A 596
MET A 597
 486  A 801 (-4.7A)
486  A 801 (-3.7A)
None
None
CPS  A 803 ( 3.9A)
 1.10A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 5 LEU A 562
TRP A 596
MET A 597
LEU A 604
MET A 642
 486  A 801 ( 4.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 ( 3.8A)
 1.47A 3h52C-5uc1A:
20.2		 3h52C-5uc1A:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		9 GLY A  36
GLN A  39
VAL A  40
TRP A  69
MET A  70
LEU A  77
ARG A  80
PHE A  92
MET A 115
 1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 (-4.4A)
1TA  A 301 ( 2.8A)
 0.64A 3h52C-5ufsA:
27.3		 3h52C-5ufsA:
76.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		8 GLY A  36
GLN A  39
VAL A  40
TRP A  69
MET A  70
LEU A  77
MET A 108
MET A 115
 1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 2.8A)
 1.06A 3h52C-5ufsA:
27.3		 3h52C-5ufsA:
76.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 GLY A  37
GLN A  39
VAL A  40
TRP A  69
MET A  70
 None
1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
 0.96A 3h52C-5ufsA:
27.3		 3h52C-5ufsA:
76.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		8 LEU A  32
GLY A  36
GLN A  39
VAL A  40
TRP A  69
MET A  70
PHE A  92
MET A 115
 1TA  A 301 (-3.5A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-4.4A)
1TA  A 301 ( 2.8A)
 0.92A 3h52C-5ufsA:
27.3		 3h52C-5ufsA:
76.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vg2 INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Tetranychus
urticae) 		no annotation 5 LEU U 256
GLY U 184
GLN U 185
ARG U 166
PHE U 221
 None
None
None
FE  U 301 ( 4.9A)
None
 1.48A 3h52C-5vg2U:
undetectable		 3h52C-5vg2U:
14.23
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.
5xnu PUTATIVE INTEGRAL
MEMBRANE PROTEIN

(Escherichia
coli) 		no annotation 5 LEU A 314
GLY A 318
ARG A 233
PHE A 523
MET A 386
 None
 1.19A 3h52C-5xnuA:
undetectable		 3h52C-5xnuA:
17.18
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.
5zib -

(-) 		no annotation 5 LEU A 324
GLY A 355
TRP A 301
LEU A 374
PHE A 359
 None
 1.47A 3h52C-5zibA:
undetectable		 3h52C-5zibA:
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.
5zic -

(-) 		no annotation 5 LEU A 324
GLY A 355
TRP A 301
LEU A 374
PHE A 359
 None
 1.47A 3h52C-5zicA:
undetectable		 3h52C-5zicA:
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.
6czx PHOSPHOSERINE
AMINOTRANSFERASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 LEU A 372
GLY A 401
VAL A 399
LEU A 393
PHE A 381
 None
 1.47A 3h52C-6czxA:
undetectable		 3h52C-6czxA:
16.74
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.
6fsh OXYB PROTEIN

(Actinoplanes
teichomyceticus) 		no annotation 5 LEU A 194
GLY A 228
GLN A 232
VAL A  85
LEU A 235
 None
 1.41A 3h52C-6fshA:
undetectable		 3h52C-6fshA:
15.87
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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		3 MET A 349
CYH A 344
PRO A 279
 None
 1.18A 3h52C-1cg4A:
0.0		 3h52C-1cg4A:
20.37
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.
1eys PHOTOSYNTHETIC
REACTION CENTER

(Thermochromatium
tepidum) 		PF02276
(CytoC_RC) 		3 MET C 108
CYH C 288
PRO C 140
 HEM  C 610 (-1.9A)
HEM  C 612 (-1.7A)
HEM  C 610 ( 4.8A)
 1.21A 3h52C-1eysC:
undetectable		 3h52C-1eysC:
17.95
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.
1f0x D-LACTATE
DEHYDROGENASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF09330
(Lact-deh-memb) 		3 MET A  74
CYH A  65
PRO A  52
 FAD  A 600 (-4.7A)
None
None
 1.15A 3h52C-1f0xA:
0.0		 3h52C-1f0xA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fn9 OUTER-CAPSID PROTEIN
SIGMA 3

(Reovirus sp.) 		PF00979
(Reovirus_cap) 		3 MET A   1
CYH A  51
PRO A  69
 None
ZN  A1001 (-2.3A)
None
 1.24A 3h52C-1fn9A:
0.0		 3h52C-1fn9A:
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.
1hg4 ULTRASPIRACLE

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		3 MET A 298
CYH A 254
PRO A 499
 None
 0.95A 3h52C-1hg4A:
19.0		 3h52C-1hg4A:
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		3 MET A 133
CYH A 123
PRO A 127
 None
 1.26A 3h52C-1jftA:
0.0		 3h52C-1jftA:
20.06
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.
1jlv GLUTATHIONE
TRANSFERASE GST1-3

(Anopheles
cracens) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 MET A 101
CYH A  69
PRO A  11
 GSH  A 701 (-3.7A)
None
GSH  A 701 ( 4.7A)
 1.28A 3h52C-1jlvA:
0.0		 3h52C-1jlvA:
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		3 MET A  39
CYH A  57
PRO A 314
 None
 1.28A 3h52C-1k32A:
0.0		 3h52C-1k32A:
13.60
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 MET A 358
CYH A 503
PRO A 528
 None
 1.04A 3h52C-1knrA:
0.0		 3h52C-1knrA:
18.35
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 MET A 927
CYH A 999
PRO A1002
 None
 0.76A 3h52C-1n5xA:
undetectable		 3h52C-1n5xA:
10.24
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.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		3 MET A 940
CYH A 661
PRO A 624
 None
 1.24A 3h52C-1no7A:
undetectable		 3h52C-1no7A:
16.69
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.
1oaa SEPIAPTERIN
REDUCTASE

(Mus musculus) 		PF00106
(adh_short) 		3 MET A 206
CYH A 160
PRO A 199
 OAA  A   1 ( 3.5A)
OAA  A   1 ( 3.9A)
NAP  A 800 (-4.1A)
 0.89A 3h52C-1oaaA:
undetectable		 3h52C-1oaaA:
23.02
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.
1oq1 PROTEIN YESU

(Bacillus
subtilis) 		PF09224
(DUF1961) 		3 MET A 160
CYH A  75
PRO A  68
 None
 1.00A 3h52C-1oq1A:
undetectable		 3h52C-1oq1A:
21.17
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.
1pzd COATOMER GAMMA
SUBUNIT

(Bos taurus) 		PF08752
(COP-gamma_platf)
PF16381
(Coatomer_g_Cpla) 		3 MET A 659
CYH A 722
PRO A 713
 None
 1.19A 3h52C-1pzdA:
undetectable		 3h52C-1pzdA:
21.65
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.
1r79 DIACYLGLYCEROL
KINASE, DELTA

(Homo sapiens) 		PF00130
(C1_1) 		3 MET A  26
CYH A  59
PRO A  81
 None
ZN  A 201 (-2.3A)
None
 1.22A 3h52C-1r79A:
undetectable		 3h52C-1r79A:
18.03
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.
1s2t PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Mytilus edulis) 		PF13714
(PEP_mutase) 		3 MET A 234
CYH A 155
PRO A  81
 None
 1.20A 3h52C-1s2tA:
undetectable		 3h52C-1s2tA:
19.94
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.
1sbz PROBABLE AROMATIC
ACID DECARBOXYLASE

(Escherichia
coli) 		PF02441
(Flavoprotein) 		3 MET A 134
CYH A  86
PRO A 146
 None
 1.22A 3h52C-1sbzA:
undetectable		 3h52C-1sbzA:
22.81
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.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		3 MET A  45
CYH A 154
PRO A 190
 SO4  A 401 ( 4.1A)
SO4  A 401 (-3.6A)
None
 1.19A 3h52C-1t9kA:
undetectable		 3h52C-1t9kA:
22.04
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		3 MET A 516
CYH A 502
PRO A 498
 None
ZN  A2131 (-2.3A)
None
 1.05A 3h52C-1urjA:
undetectable		 3h52C-1urjA:
11.79
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.
1w2w 5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE

(Saccharomyces
cerevisiae) 		PF01008
(IF-2B) 		3 MET A  48
CYH A 181
PRO B 234
 SO4  A1212 (-4.7A)
SO4  A1212 ( 4.0A)
None
 1.14A 3h52C-1w2wA:
undetectable		 3h52C-1w2wA:
21.21
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		3 MET A  58
CYH A 185
PRO A 221
 SO4  A 402 (-4.8A)
SO4  A 402 ( 3.9A)
None
 1.23A 3h52C-2a0uA:
undetectable		 3h52C-2a0uA:
20.31
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.
2bfu COWPEA MOSAIC VIRUS,
SMALL (S) SUBUNIT

(Cowpea mosaic
virus) 		PF02248
(Como_SCP) 		3 MET S  15
CYH S 148
PRO S  41
 None
 0.91A 3h52C-2bfuS:
undetectable		 3h52C-2bfuS:
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.
2ch1 3-HYDROXYKYNURENINE
TRANSAMINASE

(Anopheles
gambiae) 		PF00266
(Aminotran_5) 		3 MET A  37
CYH A  29
PRO A 211
 None
 1.25A 3h52C-2ch1A:
undetectable		 3h52C-2ch1A:
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.
2cpr EXOSOME COMPONENT 10

(Homo sapiens) 		PF00570
(HRDC) 		3 MET A 569
CYH A 554
PRO A 559
 None
 1.15A 3h52C-2cprA:
undetectable		 3h52C-2cprA:
20.00
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		3 MET A 767
CYH A 627
PRO A 760
 None
 1.12A 3h52C-2eyqA:
undetectable		 3h52C-2eyqA:
12.42
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 MET A  20
CYH A 326
PRO A  25
 None
 1.16A 3h52C-2gl5A:
undetectable		 3h52C-2gl5A:
20.29
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.
2ifx HYPOTHETICAL PROTEIN

(Cupriavidus
necator) 		PF09448
(MmlI) 		3 MET A  79
CYH A  67
PRO A 100
 None
 1.23A 3h52C-2ifxA:
undetectable		 3h52C-2ifxA:
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.
2n0s FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		3 MET A 183
CYH A 377
PRO A 131
 None
SF4  A 501 (-2.6A)
SF4  A 501 (-4.3A)
 1.24A 3h52C-2n0sA:
undetectable		 3h52C-2n0sA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		3 MET A   1
CYH A  32
PRO A  38
 None
 1.03A 3h52C-2p50A:
undetectable		 3h52C-2p50A:
22.94
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.
2p8j S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF08241
(Methyltransf_11) 		3 MET A  89
CYH A  29
PRO A  83
 None
 0.79A 3h52C-2p8jA:
undetectable		 3h52C-2p8jA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpw NRFC PROTEIN

(Thermus
thermophilus) 		PF13247
(Fer4_11) 		3 MET B   6
CYH B 135
PRO B  55
 None
SF4  B1194 (-2.7A)
SF4  B1194 ( 4.9A)
 1.22A 3h52C-2vpwB:
undetectable		 3h52C-2vpwB:
19.78
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.
2wmh FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		3 MET A 128
CYH A 178
PRO A 138
 None
 0.88A 3h52C-2wmhA:
undetectable		 3h52C-2wmhA:
19.12
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.
2xtz GUANINE
NUCLEOTIDE-BINDING
PROTEIN ALPHA-1
SUBUNIT

(Arabidopsis
thaliana) 		PF00503
(G-alpha) 		3 MET A 168
CYH A 152
PRO A 161
 None
 0.94A 3h52C-2xtzA:
undetectable		 3h52C-2xtzA:
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.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		3 MET A  65
CYH A 199
PRO A 176
 None
 1.18A 3h52C-2yxeA:
undetectable		 3h52C-2yxeA:
24.29
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.
3anv D-SERINE DEHYDRATASE

(Gallus gallus) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		3 MET A 232
CYH A 177
PRO A 240
 None
None
PLP  A 401 (-4.9A)
 1.01A 3h52C-3anvA:
undetectable		 3h52C-3anvA:
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.
3asp CAPSID PROTEIN

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		3 MET A 333
CYH A 329
PRO A 324
 None
 1.33A 3h52C-3aspA:
undetectable		 3h52C-3aspA:
20.31
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.
3byq UNCHARACTERIZED
PROTEIN DUF1185

(Bordetella
bronchiseptica) 		PF06684
(AA_synth) 		3 MET A 129
CYH A  34
PRO A 156
 None
 1.08A 3h52C-3byqA:
undetectable		 3h52C-3byqA:
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		3 MET A 458
CYH A 448
PRO A 440
 HEM  A 601 ( 4.3A)
HEM  A 601 (-2.1A)
None
 1.32A 3h52C-3c6gA:
2.6		 3h52C-3c6gA:
19.07
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 MET A 417
CYH A 410
PRO A 402
 None
HEM  A 500 (-2.3A)
None
 1.21A 3h52C-3dbgA:
1.4		 3h52C-3dbgA:
18.94
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		3 MET A 204
CYH A 185
PRO A 239
 None
 1.09A 3h52C-3dcpA:
undetectable		 3h52C-3dcpA:
23.65
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.
3dp5 CYTOCHROME C FAMILY
PROTEIN

(Geobacter
sulfurreducens) 		PF13442
(Cytochrome_CBB3) 		3 MET A  86
CYH A  35
PRO A  80
 None
HEM  A 122 (-1.9A)
HEM  A 122 ( 4.8A)
 0.73A 3h52C-3dp5A:
undetectable		 3h52C-3dp5A:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		3 MET A 107
CYH A 452
PRO A 149
 None
 1.24A 3h52C-3efvA:
undetectable		 3h52C-3efvA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		3 MET A   1
CYH A  32
PRO A  38
 None
 1.23A 3h52C-3egjA:
undetectable		 3h52C-3egjA:
20.31
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		3 MET B   9
CYH B 263
PRO B 181
 None
F3S  B 802 (-2.3A)
F3S  B 802 ( 4.6A)
 1.13A 3h52C-3egwB:
undetectable		 3h52C-3egwB:
17.73
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.
3fd5 SELENIDE, WATER
DIKINASE 1

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		3 MET A 187
CYH A 180
PRO A  74
 None
 1.29A 3h52C-3fd5A:
undetectable		 3h52C-3fd5A:
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.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		3 MET A 266
CYH A  68
PRO A  60
 None
 1.10A 3h52C-3g8mA:
undetectable		 3h52C-3g8mA:
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 MET A 355
CYH A 124
PRO A 194
 None
 0.91A 3h52C-3ip1A:
undetectable		 3h52C-3ip1A:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3isl PURINE CATABOLISM
PROTEIN PUCG

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		3 MET A 323
CYH A 201
PRO A  19
 None
 0.99A 3h52C-3islA:
undetectable		 3h52C-3islA:
21.87
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.
3isr TRANSGLUTAMINASE-LIK
E ENZYMES, PUTATIVE
CYSTEINE PROTEASE

(Cytophaga
hutchinsonii) 		PF01841
(Transglut_core) 		3 MET A   1
CYH A 259
PRO A 225
 None
 1.33A 3h52C-3isrA:
undetectable		 3h52C-3isrA:
19.87
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		3 MET A 370
CYH A 314
PRO A 303
 None
 1.20A 3h52C-3lnpA:
undetectable		 3h52C-3lnpA:
21.55
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.
3nwi ZINC TRANSPORT
PROTEIN ZNTB

(Salmonella
enterica) 		PF01544
(CorA) 		3 MET A   3
CYH A 145
PRO A 219
 None
 1.27A 3h52C-3nwiA:
undetectable		 3h52C-3nwiA:
22.95
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.
3omx CG14216

(Drosophila
melanogaster) 		PF04722
(Ssu72) 		3 MET A  85
CYH A  13
PRO A  96
 None
VO4  A 300 (-2.3A)
None
 1.28A 3h52C-3omxA:
undetectable		 3h52C-3omxA:
20.07
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 MET A 475
CYH A 488
PRO A 190
 None
 1.01A 3h52C-3pocA:
undetectable		 3h52C-3pocA:
15.47
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.
3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE

(Mycobacteroides
abscessus) 		PF01557
(FAA_hydrolase) 		3 MET A 164
CYH A 199
PRO A  82
 None
 1.22A 3h52C-3r6oA:
undetectable		 3h52C-3r6oA:
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.
3ruc WBGU

(Plesiomonas
shigelloides) 		PF01370
(Epimerase) 		3 MET A 245
CYH A 237
PRO A 321
 None
 1.21A 3h52C-3rucA:
1.0		 3h52C-3rucA:
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 MET C 927
CYH C 999
PRO C1002
 None
 0.89A 3h52C-3sr6C:
undetectable		 3h52C-3sr6C:
17.80
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		3 MET A 250
CYH A 202
PRO A 244
 None
ZN  A 472 (-3.1A)
None
 1.29A 3h52C-3tp9A:
undetectable		 3h52C-3tp9A:
18.26
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		3 MET A 388
CYH A 291
PRO A 384
 None
 1.15A 3h52C-3tsyA:
undetectable		 3h52C-3tsyA:
13.19
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.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		3 MET A 268
CYH A 319
PRO A 294
 None
 1.26A 3h52C-4bocA:
undetectable		 3h52C-4bocA:
13.00
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.
4c25 L-FUCULOSE PHOSPHATE
ALDOLASE

(Streptococcus
pneumoniae) 		PF00596
(Aldolase_II) 		3 MET A 198
CYH A 177
PRO A 110
 None
 1.30A 3h52C-4c25A:
undetectable		 3h52C-4c25A:
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		3 MET A 339
CYH A 353
PRO A 283
 None
 0.93A 3h52C-4c3yA:
undetectable		 3h52C-4c3yA:
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		3 MET A 348
CYH A 292
PRO A 281
 None
 1.06A 3h52C-4dykA:
undetectable		 3h52C-4dykA:
19.91
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.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		3 MET A  71
CYH A 180
PRO A 183
 None
 1.29A 3h52C-4e2zA:
undetectable		 3h52C-4e2zA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kq8 CYTOCHROME P450 19A1

(Homo sapiens) 		PF00067
(p450) 		3 MET A 444
CYH A 437
PRO A 429
 None
HEM  A 601 (-2.3A)
None
 1.14A 3h52C-4kq8A:
0.9		 3h52C-4kq8A:
21.55
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		3 MET A  48
CYH A 893
PRO A 880
 None
 1.20A 3h52C-4lglA:
undetectable		 3h52C-4lglA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		3 MET A 896
CYH A 836
PRO A 526
 None
 0.88A 3h52C-4lglA:
undetectable		 3h52C-4lglA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		3 MET A 896
CYH A 836
PRO A 866
 None
 1.13A 3h52C-4lglA:
undetectable		 3h52C-4lglA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		3 MET A 345
CYH A 243
PRO A 267
 None
 1.17A 3h52C-4lr2A:
undetectable		 3h52C-4lr2A:
21.39
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		3 MET A 388
CYH A 421
PRO A 385
 None
 1.23A 3h52C-4p6vA:
undetectable		 3h52C-4p6vA:
20.88
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		3 MET A 173
CYH A 127
PRO A 177
 None
 1.17A 3h52C-4y0wA:
undetectable		 3h52C-4y0wA:
25.54
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 MET A 927
CYH A 999
PRO A1002
 None
 0.89A 3h52C-4yswA:
undetectable		 3h52C-4yswA:
11.17
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.
4zbt ACETOACETATE
DECARBOXYLASE

(Streptomyces
bingchenggensis) 		PF06314
(ADC) 		3 MET A 258
CYH A  93
PRO A 181
 None
 1.05A 3h52C-4zbtA:
undetectable		 3h52C-4zbtA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bq2 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
aeruginosa) 		PF00275
(EPSP_synthase) 		3 MET A 173
CYH A 200
PRO A  27
 None
 1.29A 3h52C-5bq2A:
undetectable		 3h52C-5bq2A:
21.41
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.
5d9a POLYMERASE BASIC
PROTEIN 2
RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza C
virus) 		PF00602
(Flu_PB1)
PF00604
(Flu_PB2) 		3 MET C  67
CYH C 111
PRO B 628
 None
 0.80A 3h52C-5d9aC:
undetectable		 3h52C-5d9aC:
15.16
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.
5fq6 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		3 MET A 290
CYH A 249
PRO A 284
 None
 1.26A 3h52C-5fq6A:
undetectable		 3h52C-5fq6A:
18.81
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.
5hi9 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 2

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF12796
(Ank_2) 		3 MET A 372
CYH A 364
PRO A 367
 None
 1.12A 3h52C-5hi9A:
undetectable		 3h52C-5hi9A:
15.25
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 MET A 294
CYH A 367
PRO A 287
 None
 1.26A 3h52C-5i2gA:
undetectable		 3h52C-5i2gA:
14.39
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.
5il0 METTL3

(Homo sapiens) 		PF05063
(MT-A70) 		3 MET A 520
CYH A 483
PRO A 514
 None
 0.51A 3h52C-5il0A:
undetectable		 3h52C-5il0A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL

(Bos taurus) 		PF00346
(Complex1_49kDa)
PF01058
(Oxidored_q6) 		3 MET D 111
CYH B  54
PRO B 150
 None
SF4  B 201 (-2.2A)
SF4  B 201 (-4.1A)
 1.34A 3h52C-5lc5D:
undetectable		 3h52C-5lc5D:
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.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL

(Bos taurus) 		PF01058
(Oxidored_q6) 		3 MET B  86
CYH B 136
PRO B 141
 None
 1.25A 3h52C-5lc5B:
undetectable		 3h52C-5lc5B:
18.65
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.
5ldw NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL

(Bos taurus) 		PF01058
(Oxidored_q6) 		3 MET B  86
CYH B 136
PRO B 141
 None
 1.31A 3h52C-5ldwB:
undetectable		 3h52C-5ldwB:
21.09
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.
5lj3 PRE-MRNA-SPLICING
FACTOR SLT11

(Saccharomyces
cerevisiae) 		no annotation 3 MET N  25
CYH N  73
PRO N  10
 None
 1.33A 3h52C-5lj3N:
undetectable		 3h52C-5lj3N:
24.41
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.
5mz8 ALDEHYDE
DEHYDROGENASE 21

(Physcomitrella
patens) 		PF00171
(Aldedh) 		3 MET A 166
CYH A 189
PRO A 183
 None
 1.32A 3h52C-5mz8A:
undetectable		 3h52C-5mz8A:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 3 MET A 812
CYH A 664
PRO A 806
 None
 0.80A 3h52C-5nd1A:
undetectable		 3h52C-5nd1A:
15.65
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.
5tey N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT

(Homo sapiens) 		PF05063
(MT-A70) 		3 MET A 520
CYH A 483
PRO A 514
 None
 0.62A 3h52C-5teyA:
undetectable		 3h52C-5teyA:
18.17
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.
5ub6 PHOSPHATE-BINDING
PROTEIN

(Xanthomonas
citri) 		no annotation 3 MET A 189
CYH A 170
PRO A 159
 None
 1.03A 3h52C-5ub6A:
undetectable		 3h52C-5ub6A:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		3 MET A 348
CYH A 244
PRO A 268
 None
 1.22A 3h52C-5vemA:
undetectable		 3h52C-5vemA:
19.11
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		3 MET A 348
CYH A 244
PRO A 268
 None
 1.19A 3h52C-5veoA:
undetectable		 3h52C-5veoA:
20.83
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.
5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A

(Pyrococcus
abyssi) 		no annotation 3 MET A 170
CYH A 326
PRO A 260
 G  C  37 ( 4.4A)
None
None
 1.24A 3h52C-5wt3A:
undetectable		 3h52C-5wt3A:
14.57
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.
5yg7 RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		no annotation 3 MET A  19
CYH A 135
PRO A 163
 RI2  A 401 (-4.5A)
RI2  A 401 (-3.6A)
None
 1.00A 3h52C-5yg7A:
undetectable		 3h52C-5yg7A:
18.23
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.
5yk2 PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER

(Mycobacterium
tuberculosis) 		no annotation 3 MET A 381
CYH A 420
PRO A 365
 None
 1.32A 3h52C-5yk2A:
undetectable		 3h52C-5yk2A:
17.00
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.
6btg FUCULOSE PHOSPHATE
ALDOLASE

(Bacillus
thuringiensis) 		no annotation 3 MET A 200
CYH A 179
PRO A 112
 None
 1.24A 3h52C-6btgA:
undetectable		 3h52C-6btgA:
16.87
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 3 MET A 455
CYH A 448
PRO A 374
 None
HEM  A 600 (-2.1A)
HEM  A 600 (-4.0A)
 1.26A 3h52C-6c93A:
1.1		 3h52C-6c93A:
13.94
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 3 MET A 455
CYH A 448
PRO A 440
 None
HEM  A 600 (-2.1A)
None
 1.07A 3h52C-6c93A:
1.1		 3h52C-6c93A:
13.94
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.
6cza -

(-) 		no annotation 3 MET B   5
CYH B 183
PRO B  54
 None
SF4  B 301 (-2.3A)
SF4  B 301 ( 4.8A)
 1.17A 3h52C-6czaB:
undetectable		 3h52C-6czaB:
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 3 MET B 800
CYH B 980
PRO B 862
 SF4  B1103 ( 4.7A)
SF4  B1104 (-2.2A)
None
 1.14A 3h52C-6f0kB:
undetectable		 3h52C-6f0kB:
13.49
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 3 MET B1101
CYH A  77
PRO A 265
 None
ZN  A1501 ( 4.9A)
None
 1.31A 3h52C-6f42B:
undetectable		 3h52C-6f42B:
16.18
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC8
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC9

(Saccharomyces
cerevisiae) 		no annotation 3 MET D   1
CYH G  45
PRO G  40
 None
 1.29A 3h52C-6f42D:
undetectable		 3h52C-6f42D:
18.60
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 3 MET A 966
CYH A 987
PRO A 961
 None
 1.17A 3h52C-6fikA:
undetectable		 3h52C-6fikA:
16.04
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.
6flk CEP120

(Homo sapiens) 		no annotation 3 MET A 501
CYH A 474
PRO A 471
 None
 1.15A 3h52C-6flkA:
undetectable		 3h52C-6flkA:
14.67