SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZAU_A_YY3A1101_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1adq IGM-LAMBDA RF-AN FAB
(HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 108
GLY H  10
VAL H 109
ALA H  88
GLY H 106
 None
 1.13A 4zauA-1adqH:
undetectable		 4zauA-1adqH:
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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 LEU A 418
GLY A 416
ALA A 423
LEU A 324
GLY A 319
 None
 1.09A 4zauA-1b41A:
undetectable		 4zauA-1b41A:
19.74
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.
1b6u P58 KILLER CELL
INHIBITORY RECEPTOR

(Homo sapiens) 		PF00047
(ig) 		5 LEU A 166
GLY A 167
VAL A 124
ALA A 112
GLY A 172
 None
 1.22A 4zauA-1b6uA:
undetectable		 4zauA-1b6uA:
20.90
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.
1c8z TUBBY PROTEIN

(Mus musculus) 		PF01167
(Tub) 		5 LEU A 362
GLY A 346
VAL A 347
ALA A 352
LEU A 357
 None
 1.26A 4zauA-1c8zA:
undetectable		 4zauA-1c8zA:
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.
1cii COLICIN IA

(Escherichia
coli) 		PF01024
(Colicin)
PF11504
(Colicin_Ia) 		5 LEU A 596
GLY A 597
ALA A 519
LEU A 520
GLY A 593
 None
 1.28A 4zauA-1ciiA:
undetectable		 4zauA-1ciiA:
20.56
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.
1ckm MRNA CAPPING ENZYME

(Paramecium
bursaria
Chlorella virus
1) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		5 GLY A 268
VAL A 267
LEU A 311
GLY A 283
CYH A 282
 None
 1.18A 4zauA-1ckmA:
undetectable		 4zauA-1ckmA:
23.40
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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		5 LEU A 144
GLY A 143
VAL A 125
ALA A 136
LEU A 133
 None
 1.11A 4zauA-1clwA:
undetectable		 4zauA-1clwA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dub 2-ENOYL-COA
HYDRATASE

(Rattus
norvegicus) 		PF00378
(ECH_1) 		5 GLY A 136
VAL A 134
ALA A 146
LEU A 145
GLY A  97
 None
None
None
None
CAA  A 300 ( 3.9A)
 1.21A 4zauA-1dubA:
undetectable		 4zauA-1dubA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 LEU A 211
GLY A 213
ALA A 248
LEU A 190
GLY A  74
 None
 1.15A 4zauA-1dy6A:
undetectable		 4zauA-1dy6A:
20.69
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.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 LEU A  24
GLY A  21
ALA A  27
LEU A  54
GLY A  47
 None
NAD  A 301 (-3.2A)
None
None
None
 0.97A 4zauA-1e6wA:
undetectable		 4zauA-1e6wA:
20.18
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.
1ggv DIENELACTONE
HYDROLASE

(Pseudomonas
putida) 		PF01738
(DLH) 		5 LEU A 119
GLY A 118
VAL A 138
ALA A 133
GLY A 143
 None
 1.18A 4zauA-1ggvA:
undetectable		 4zauA-1ggvA:
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.
1htj KIAA0380

(Homo sapiens) 		PF09128
(RGS-like) 		5 LEU F 401
GLY F 399
VAL F 400
LEU F 369
GLY F 361
 None
 1.06A 4zauA-1htjF:
undetectable		 4zauA-1htjF:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyq CELL DIVISION
INHIBITOR (MIND-1)

(Archaeoglobus
fulgidus) 		PF01656
(CbiA) 		5 GLY A  78
VAL A  25
ALA A  21
LEU A  46
GLY A  51
 None
 0.99A 4zauA-1hyqA:
undetectable		 4zauA-1hyqA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		5 LEU A 315
GLY A 316
VAL A 319
ALA A 336
LEU A 334
 None
 1.10A 4zauA-1jmzA:
undetectable		 4zauA-1jmzA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k26 NUDIX HOMOLOG

(Pyrobaculum
aerophilum) 		PF00293
(NUDIX) 		5 GLY A   6
VAL A   7
ALA A 132
LEU A 136
GLY A  58
 None
 1.23A 4zauA-1k26A:
undetectable		 4zauA-1k26A:
19.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 VAL A 416
ALA A 428
MET A 477
GLY A 480
CYH A 481
 None
 0.54A 4zauA-1k2pA:
29.8		 4zauA-1k2pA:
33.02
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.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 GLY A 202
VAL A 209
ALA A 220
MET A 269
GLY A 272
 None
 0.45A 4zauA-1k9aA:
32.0		 4zauA-1k9aA:
25.97
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.
1koa TWITCHIN

(Caenorhabditis
elegans) 		PF00069
(Pkinase)
PF07679
(I-set) 		5 LEU A5948
GLY A5949
VAL A5956
ALA A5969
MET A6019
 None
 0.89A 4zauA-1koaA:
22.9		 4zauA-1koaA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY A 441
VAL A 442
ALA A 444
LEU A 445
GLY A 630
 None
 1.22A 4zauA-1kqfA:
undetectable		 4zauA-1kqfA:
16.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK

(Rattus
norvegicus) 		PF07714
(Pkinase_Tyr) 		5 GLY A 581
VAL A 588
ALA A 606
MET A 657
GLY A 660
 None
 0.52A 4zauA-1lufA:
31.0		 4zauA-1lufA:
31.91
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.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A 144
VAL A  85
ALA A 104
LEU A 107
GLY A  64
 None
 1.26A 4zauA-1mzjA:
undetectable		 4zauA-1mzjA:
21.35
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.
1nfi I-KAPPA-B-ALPHA

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 LEU E 163
GLY E 161
VAL E 162
ALA E 127
LEU E 115
 None
 1.10A 4zauA-1nfiE:
undetectable		 4zauA-1nfiE:
21.02
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.
1o5f SERINE PROTEASE
HEPSIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU H  83
GLY H  84
VAL H  66
ALA H  68
GLY H  49
 None
 1.13A 4zauA-1o5fH:
undetectable		 4zauA-1o5fH:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LEU A 267
VAL A 275
ALA A 288
MET A 337
GLY A 340
 P16  A   2 ( 4.2A)
P16  A   2 (-4.5A)
P16  A   2 (-3.4A)
None
P16  A   2 (-3.4A)
 0.59A 4zauA-1opkA:
31.9		 4zauA-1opkA:
24.91
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.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 LEU A 164
GLY A 165
VAL A 172
ALA A 185
GLY A 250
 ADP  A 810 ( 4.3A)
ADP  A 810 (-3.3A)
ADP  A 810 (-4.1A)
ADP  A 810 (-3.3A)
None
 0.71A 4zauA-1q8yA:
22.5		 4zauA-1q8yA:
26.02
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.
1qwi OSMOTICALLY
INDUCIBLE PROTEIN

(Escherichia
coli) 		PF02566
(OsmC) 		5 LEU A  29
GLY A  27
VAL A  28
LEU A  51
GLY A   7
 None
 1.27A 4zauA-1qwiA:
undetectable		 4zauA-1qwiA:
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		5 LEU A 441
GLY A 150
ALA A 444
LEU A 402
GLY A 397
 None
 1.25A 4zauA-1r6vA:
undetectable		 4zauA-1r6vA:
20.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rjb FL CYTOKINE RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 616
GLY A 617
VAL A 624
ALA A 642
GLY A 697
 None
 0.66A 4zauA-1rjbA:
29.6		 4zauA-1rjbA:
32.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rjw ALCOHOL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  84
VAL A  64
ALA A  34
LEU A 336
GLY A  60
 None
 1.28A 4zauA-1rjwA:
undetectable		 4zauA-1rjwA:
22.93
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.
1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 LEU A 261
GLY A 260
VAL A 316
LEU A 327
MET A 381
 None
 1.04A 4zauA-1rxtA:
undetectable		 4zauA-1rxtA:
21.24
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.
1rzw PROTEIN AF2095(GR4)

(Archaeoglobus
fulgidus) 		PF01981
(PTH2) 		5 LEU A  77
GLY A  76
VAL A  94
LEU A  58
GLY A  63
 None
 1.04A 4zauA-1rzwA:
undetectable		 4zauA-1rzwA:
15.55
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.
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		6 LEU A  78
GLY A  79
VAL A  86
ALA A  99
MET A 150
GLY A 153
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
None
ATP  A 535 ( 4.7A)
 0.56A 4zauA-1s9iA:
21.3		 4zauA-1s9iA:
25.90
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU A 415
VAL A 418
ALA A 625
LEU A 441
GLY A 410
 None
 1.26A 4zauA-1sb3A:
undetectable		 4zauA-1sb3A:
19.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1snx TYROSINE-PROTEIN
KINASE ITK/TSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLY A 370
VAL A 377
ALA A 389
MET A 438
GLY A 441
 None
 0.70A 4zauA-1snxA:
30.0		 4zauA-1snxA:
32.42
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		5 LEU A  24
GLY A  21
ALA A  27
LEU A  54
GLY A  47
 None
NA  A 302 ( 4.3A)
None
None
None
 0.80A 4zauA-1so8A:
undetectable		 4zauA-1so8A:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 595
GLY A 596
VAL A 603
ALA A 621
GLY A 676
 STI  A   3 ( 3.8A)
None
STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
STI  A   3 ( 3.8A)
 0.49A 4zauA-1t46A:
30.6		 4zauA-1t46A:
31.20
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.
1tuu ACETATE KINASE

(Methanosarcina
thermophila) 		PF00871
(Acetate_kinase) 		5 LEU A  71
GLY A  77
VAL A  78
LEU A   4
GLY A  29
 None
 1.08A 4zauA-1tuuA:
undetectable		 4zauA-1tuuA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u59 TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 344
GLY A 345
VAL A 352
ALA A 367
GLY A 418
 STU  A 100 (-3.8A)
STU  A 100 (-3.3A)
STU  A 100 (-4.8A)
STU  A 100 (-3.2A)
STU  A 100 ( 4.7A)
 1.17A 4zauA-1u59A:
33.7		 4zauA-1u59A:
33.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u59 TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 344
GLY A 345
VAL A 352
ALA A 367
GLY A 420
 STU  A 100 (-3.8A)
STU  A 100 (-3.3A)
STU  A 100 (-4.8A)
STU  A 100 (-3.2A)
STU  A 100 (-3.5A)
 0.67A 4zauA-1u59A:
33.7		 4zauA-1u59A:
33.53
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.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY X 121
ALA X 410
LEU X 411
GLY X 114
CYH X 113
 None
 1.20A 4zauA-1u8xX:
undetectable		 4zauA-1u8xX:
22.78
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.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  18
GLY A  19
VAL A  26
ALA A  39
MET A  94
 ATP  A 381 (-4.4A)
ATP  A 381 ( 3.9A)
ATP  A 381 (-4.0A)
ATP  A 381 (-3.6A)
None
 0.45A 4zauA-1ua2A:
21.5		 4zauA-1ua2A:
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.
1v4a GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 LEU A  77
ALA A 130
LEU A  90
MET A  87
GLY A  85
 None
 1.27A 4zauA-1v4aA:
undetectable		 4zauA-1v4aA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vgw 4-DIPHOSPHOCYTIDYL-2
C-METHYL-D-ERYTHRITO
L SYNTHASE

(Neisseria
gonorrhoeae) 		PF01128
(IspD) 		5 LEU A  93
GLY A  89
VAL A  90
ALA A 172
GLY A  97
 None
 1.28A 4zauA-1vgwA:
undetectable		 4zauA-1vgwA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1weh CONSERVED
HYPOTHETICAL PROTEIN
TT1887

(Thermus
thermophilus) 		PF03641
(Lysine_decarbox) 		5 LEU A  36
GLY A  35
VAL A  52
ALA A  49
GLY A  61
 None
 1.11A 4zauA-1wehA:
undetectable		 4zauA-1wehA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 LEU A  34
VAL A  35
ALA A 105
LEU A  28
GLY A  31
 None
 1.23A 4zauA-1xa0A:
undetectable		 4zauA-1xa0A:
25.96
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.
1xzn PYRR BIFUNCTIONAL
PROTEIN

([Bacillus]
caldolyticus) 		PF00156
(Pribosyltran) 		5 LEU A  66
GLY A  37
VAL A  36
LEU A 123
MET A 121
 None
 1.28A 4zauA-1xznA:
undetectable		 4zauA-1xznA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		5 LEU A 327
VAL A 351
ALA A 339
LEU A 342
GLY A 307
 None
 1.12A 4zauA-1yt8A:
undetectable		 4zauA-1yt8A:
21.88
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.
1ywg GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Plasmodium
falciparum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU O 227
GLY O 221
VAL O 220
ALA O 162
GLY O 174
 None
 1.11A 4zauA-1ywgO:
undetectable		 4zauA-1ywgO:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z67 HYPOTHETICAL PROTEIN
S4005

(Shigella
flexneri) 		PF06078
(DUF937) 		5 LEU A  82
GLY A  83
VAL A  84
LEU A  92
GLY A  17
 None
 1.28A 4zauA-1z67A:
undetectable		 4zauA-1z67A:
18.73
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.
1zc6 PROBABLE
N-ACETYLGLUCOSAMINE
KINASE

(Chromobacterium
violaceum) 		PF01869
(BcrAD_BadFG) 		5 LEU A 163
GLY A 164
ALA A 235
LEU A 264
GLY A 130
 None
 1.20A 4zauA-1zc6A:
undetectable		 4zauA-1zc6A:
24.05
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.
1zc6 PROBABLE
N-ACETYLGLUCOSAMINE
KINASE

(Chromobacterium
violaceum) 		PF01869
(BcrAD_BadFG) 		5 LEU A 260
GLY A 259
ALA A 215
LEU A 163
GLY A 132
 None
 0.91A 4zauA-1zc6A:
undetectable		 4zauA-1zc6A:
24.05
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.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  15
GLY A  16
VAL A  23
ALA A  36
GLY A  90
 HYM  A 400 (-4.2A)
HYM  A 400 ( 3.8A)
HYM  A 400 (-4.3A)
HYM  A 400 (-3.5A)
None
 0.81A 4zauA-1zltA:
23.1		 4zauA-1zltA:
25.37
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.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		5 LEU A 120
GLY A  95
VAL A 119
LEU A 243
GLY A 236
 None
 1.21A 4zauA-1zoiA:
undetectable		 4zauA-1zoiA:
21.75
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.
1zws DAP-KINASE RELATED
PROTEIN 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  19
GLY A  20
VAL A  27
ALA A  40
LEU A  95
 None
 0.72A 4zauA-1zwsA:
24.4		 4zauA-1zwsA:
26.55
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  19
GLY A  20
VAL A  27
LEU A  95
GLY A  99
 None
 0.99A 4zauA-2a2aA:
25.0		 4zauA-2a2aA:
25.35
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.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		5 LEU A 110
VAL A 113
ALA A 183
LEU A 123
GLY A 103
 None
 1.27A 4zauA-2aazA:
undetectable		 4zauA-2aazA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ac5 MAP
KINASE-INTERACTING
SERINE/THREONINE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY A  91
VAL A  98
ALA A 111
MET A 162
GLY A 165
 None
 0.85A 4zauA-2ac5A:
19.9		 4zauA-2ac5A:
25.95
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.
2aee OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Streptococcus
pyogenes) 		PF00156
(Pribosyltran) 		5 LEU A 132
GLY A 128
VAL A 131
ALA A 135
GLY A 167
 None
SO4  A 501 (-3.3A)
None
None
None
 1.21A 4zauA-2aeeA:
undetectable		 4zauA-2aeeA:
23.81
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.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		5 GLY A 245
VAL A 243
ALA A 235
LEU A 211
GLY A 230
 None
 1.24A 4zauA-2as0A:
undetectable		 4zauA-2as0A:
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		5 LEU A 369
GLY A 368
ALA A 360
MET A 169
GLY A 172
 None
 1.20A 4zauA-2b2iA:
undetectable		 4zauA-2b2iA:
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.
2bdw HYPOTHETICAL PROTEIN
K11E8.1D

(Caenorhabditis
elegans) 		PF00069
(Pkinase) 		5 LEU A  19
GLY A  20
VAL A  27
ALA A  40
LEU A  91
 None
 0.54A 4zauA-2bdwA:
24.1		 4zauA-2bdwA:
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.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		5 LEU A 189
GLY A 185
VAL A 188
ALA A 162
LEU A 165
 None
 1.23A 4zauA-2bexA:
undetectable		 4zauA-2bexA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkw ALANINE-GLYOXYLATE
AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00266
(Aminotran_5) 		5 LEU A  16
GLY A  18
VAL A  20
ALA A 205
GLY A 359
 None
 1.13A 4zauA-2bkwA:
undetectable		 4zauA-2bkwA:
21.78
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.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		5 LEU A 185
GLY A 181
VAL A 184
ALA A 158
LEU A 161
 None
 1.14A 4zauA-2bnhA:
undetectable		 4zauA-2bnhA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  26
GLY A  27
VAL A  34
ALA A  47
GLY A 104
 STU  A1301 (-4.2A)
STU  A1301 ( 3.8A)
STU  A1301 (-4.8A)
STU  A1301 (-3.6A)
STU  A1301 ( 4.0A)
 0.67A 4zauA-2bujA:
24.4		 4zauA-2bujA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cwl MANGANESE-FREE
PSEUDOCATALASE

(Thermus
thermophilus) 		PF05067
(Mn_catalase) 		5 LEU A  76
GLY A  72
ALA A  79
LEU A  12
GLY A 269
 None
 0.99A 4zauA-2cwlA:
undetectable		 4zauA-2cwlA:
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 LEU A 290
GLY A 288
VAL A 289
LEU A 128
GLY A 281
 None
 1.04A 4zauA-2cy8A:
undetectable		 4zauA-2cy8A:
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.
2czq CUTINASE-LIKE
PROTEIN

(Cryptococcus
sp. S-2) 		PF01083
(Cutinase) 		5 LEU A 201
GLY A 202
VAL A 198
LEU A  11
GLY A  40
 None
 1.02A 4zauA-2czqA:
undetectable		 4zauA-2czqA:
20.48
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.
2czq CUTINASE-LIKE
PROTEIN

(Cryptococcus
sp. S-2) 		PF01083
(Cutinase) 		5 LEU A 201
GLY A 203
VAL A 198
LEU A  11
GLY A  40
 None
 1.11A 4zauA-2czqA:
undetectable		 4zauA-2czqA:
20.48
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.
2dg6 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF13411
(MerR_1) 		5 LEU A  53
GLY A  57
VAL A  59
ALA A  64
LEU A  68
 None
 1.09A 4zauA-2dg6A:
undetectable		 4zauA-2dg6A:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU X  17
GLY X  18
VAL X  25
ALA X  37
MET X  85
GLY X  88
 STU  X 902 (-3.8A)
STU  X 902 ( 3.7A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
None
STU  X 902 (-3.5A)
 0.63A 4zauA-2dq7X:
33.4		 4zauA-2dq7X:
33.14
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.
2dyl DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 150
ALA A 163
LEU A 214
MET A 215
CYH A 218
 None
 0.70A 4zauA-2dylA:
21.9		 4zauA-2dylA:
26.15
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.
2e0n PRECORRIN-2
C20-METHYLTRANSFERAS
E

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  12
GLY A 105
VAL A 104
ALA A  50
LEU A  54
 None
SAH  A 300 (-3.5A)
None
None
None
 1.25A 4zauA-2e0nA:
undetectable		 4zauA-2e0nA:
25.21
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.
2e63 KIAA1787 PROTEIN

(Homo sapiens) 		PF07177
(Neuralized) 		5 LEU A 108
VAL A 100
ALA A 147
GLY A 144
CYH A 143
 None
 1.25A 4zauA-2e63A:
undetectable		 4zauA-2e63A:
18.45
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.
2eez ALANINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 GLY A  21
VAL A  23
ALA A  55
LEU A  57
GLY A  40
 None
 1.15A 4zauA-2eezA:
undetectable		 4zauA-2eezA:
22.42
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.
2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 LEU A 360
GLY A 361
VAL A 351
ALA A 400
GLY A 420
 None
 1.27A 4zauA-2ehqA:
undetectable		 4zauA-2ehqA:
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.
2ej5 ENOYL-COA HYDRATASE
SUBUNIT II

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 GLY A 105
VAL A 103
ALA A 115
LEU A 114
GLY A  65
 None
 1.20A 4zauA-2ej5A:
undetectable		 4zauA-2ej5A:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ejb PROBABLE AROMATIC
ACID DECARBOXYLASE

(Aquifex
aeolicus) 		PF02441
(Flavoprotein) 		5 LEU A 173
GLY A 171
VAL A 169
ALA A 151
GLY A  17
 None
 1.10A 4zauA-2ejbA:
undetectable		 4zauA-2ejbA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 162
GLY A 163
VAL A 170
ALA A 184
LEU A 238
 None
 0.65A 4zauA-2eu9A:
23.3		 4zauA-2eu9A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 584
VAL A 506
ALA A 555
LEU A 556
CYH A 590
 None
 1.22A 4zauA-2f57A:
24.8		 4zauA-2f57A:
23.48
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.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		6 LEU A  19
GLY A  20
VAL A  27
ALA A  40
LEU A  95
MET A  96
 ADP  A 500 (-4.3A)
ADP  A 500 ( 4.1A)
ADP  A 500 (-4.3A)
ADP  A 500 ( 3.7A)
ADP  A 500 ( 4.9A)
None
 0.55A 4zauA-2f9gA:
17.9		 4zauA-2f9gA:
24.86
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.
2gb3 ASPARTATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		5 LEU A  72
GLY A  68
ALA A  75
LEU A 277
GLY A 272
 None
 1.20A 4zauA-2gb3A:
undetectable		 4zauA-2gb3A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 GLY A 196
VAL A 247
ALA A 260
LEU A 259
GLY A 254
 None
 1.29A 4zauA-2gfqA:
undetectable		 4zauA-2gfqA:
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 LEU A 393
GLY A 394
VAL A 422
ALA A 410
LEU A 413
 None
 1.21A 4zauA-2grvA:
undetectable		 4zauA-2grvA:
18.95
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 LEU A 273
GLY A 274
VAL A 281
ALA A 293
MET A 341
GLY A 344
 H8H  A 534 (-3.8A)
H8H  A 534 ( 3.8A)
H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
None
H8H  A 534 (-3.3A)
 0.42A 4zauA-2h8hA:
29.7		 4zauA-2h8hA:
22.24
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		6 LEU A 273
GLY A 274
VAL A 281
ALA A 293
MET A 341
GLY A 344
 QUE  A   1 (-3.9A)
QUE  A   1 ( 4.2A)
QUE  A   1 ( 4.8A)
QUE  A   1 (-3.5A)
None
QUE  A   1 (-3.0A)
 0.64A 4zauA-2hckA:
28.6		 4zauA-2hckA:
26.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 GLY A 636
VAL A 643
ALA A 659
MET A 710
GLY A 713
 ADP  A 400 ( 3.9A)
ADP  A 400 ( 4.4A)
ADP  A 400 (-3.2A)
None
ADP  A 400 ( 4.2A)
 0.80A 4zauA-2henA:
32.1		 4zauA-2henA:
33.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 251
GLY A 252
VAL A 259
ALA A 271
MET A 319
GLY A 322
 1BM  A 499 ( 3.7A)
None
1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
None
1BM  A 499 (-3.5A)
 0.43A 4zauA-2hk5A:
33.7		 4zauA-2hk5A:
34.15
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.
2hv2 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 LEU A 358
GLY A 359
ALA A 283
LEU A 111
GLY A 178
 None
 1.17A 4zauA-2hv2A:
undetectable		 4zauA-2hv2A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hw6 MAP
KINASE-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  55
GLY A  56
VAL A  63
ALA A  76
GLY A 130
 None
 0.55A 4zauA-2hw6A:
20.4		 4zauA-2hw6A:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		6 LEU A 248
GLY A 249
VAL A 256
ALA A 269
MET A 318
GLY A 321
 GIN  A 600 ( 4.6A)
None
GIN  A 600 ( 4.7A)
GIN  A 600 (-3.1A)
None
None
 0.64A 4zauA-2hz0A:
30.5		 4zauA-2hz0A:
36.16
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.
2i5p GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Kluyveromyces
marxianus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU O 221
GLY O 215
VAL O 214
ALA O 158
GLY O 170
 None
 1.14A 4zauA-2i5pO:
undetectable		 4zauA-2i5pO:
22.69
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.
2i5p GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Kluyveromyces
marxianus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU O 225
GLY O 215
VAL O 214
LEU O 242
GLY O 227
 None
 1.19A 4zauA-2i5pO:
undetectable		 4zauA-2i5pO:
22.69
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.
2j0j FOCAL ADHESION
KINASE 1

(Gallus gallus) 		PF00373
(FERM_M)
PF07714
(Pkinase_Tyr) 		5 GLY A 429
VAL A 436
ALA A 452
LEU A 501
GLY A 505
 4ST  A1687 (-3.1A)
4ST  A1687 ( 4.8A)
4ST  A1687 (-3.3A)
4ST  A1687 (-4.3A)
4ST  A1687 (-3.2A)
 0.71A 4zauA-2j0jA:
32.5		 4zauA-2j0jA:
19.46
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.
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  29
GLY A  30
VAL A  37
ALA A  50
LEU A 100
 J60  A1305 (-3.9A)
None
J60  A1305 (-4.8A)
J60  A1305 (-3.3A)
J60  A1305 (-4.4A)
 0.38A 4zauA-2jamA:
18.7		 4zauA-2jamA:
27.33
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  29
GLY A  30
VAL A  37
ALA A  50
LEU A 100
 QPP  A1314 (-3.7A)
QPP  A1314 ( 3.7A)
QPP  A1314 ( 4.6A)
QPP  A1314 ( 3.7A)
QPP  A1314 (-4.5A)
 0.39A 4zauA-2jc6A:
20.9		 4zauA-2jc6A:
27.25
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.
2jet CHYMOTRYPSINOGEN B
CHAIN B
CHYMOTRYPSINOGEN B
CHAIN C

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 LEU C 199
GLY C 211
VAL C 200
ALA B 137
GLY C 193
 None
 1.16A 4zauA-2jetC:
undetectable		 4zauA-2jetC:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jet CHYMOTRYPSINOGEN B
CHAIN B
CHYMOTRYPSINOGEN B
CHAIN C

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 LEU C 199
VAL C 200
ALA B 137
LEU C 160
GLY C 193
 None
 1.13A 4zauA-2jetC:
undetectable		 4zauA-2jetC:
14.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jkm FOCAL ADHESION
KINASE 1

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		5 GLY A 429
VAL A 436
ALA A 452
LEU A 501
GLY A 505
 BII  A1687 ( 3.8A)
BII  A1687 ( 4.7A)
BII  A1687 (-3.5A)
BII  A1687 (-4.4A)
BII  A1687 (-3.6A)
 0.62A 4zauA-2jkmA:
32.9		 4zauA-2jkmA:
33.84
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.
2kdy FACTOR H BINDING
PROTEIN VARIANT
B01_001

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 LEU A 230
GLY A 231
VAL A 240
LEU A 172
GLY A 256
 None
 1.13A 4zauA-2kdyA:
undetectable		 4zauA-2kdyA:
21.28