SIMILAR PATTERNS OF AMINO ACIDS FOR 2QM9_A_TDZA201_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ftp MUSCLE FATTY ACID
BINDING PROTEIN

(Schistocerca
gregaria) 		PF00061
(Lipocalin) 		6 PHE A  17
VAL A  26
SER A  55
THR A  62
ARG A 128
TYR A 130
 None
 0.89A 2qm9A-1ftpA:
19.9		 2qm9A-1ftpA:
37.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gka CRUSTACYANIN A2
SUBUNIT

(Homarus
gammarus) 		PF00061
(Lipocalin) 		5 PHE B  60
ALA B  27
SER B 114
THR B 108
ASP B  22
 None
 1.25A 2qm9A-1gkaB:
3.0		 2qm9A-1gkaB:
24.88
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.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		5 PHE A 431
VAL A 421
SER A 509
SER A 505
ARG A 418
 None
 1.24A 2qm9A-1irxA:
undetectable		 2qm9A-1irxA:
15.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jjx BRAIN-TYPE FATTY
ACID BINDING PROTEIN

(Homo sapiens) 		PF00061
(Lipocalin) 		6 PHE A  16
VAL A  25
SER A  55
ALA A  75
ARG A  78
TYR A 128
 None
 1.24A 2qm9A-1jjxA:
21.9		 2qm9A-1jjxA:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jjx BRAIN-TYPE FATTY
ACID BINDING PROTEIN

(Homo sapiens) 		PF00061
(Lipocalin) 		6 PHE A  16
VAL A  25
THR A  60
ALA A  75
ARG A  78
TYR A 128
 None
 1.18A 2qm9A-1jjxA:
21.9		 2qm9A-1jjxA:
55.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o8v FATTY ACID BINDING
PROTEIN HOMOLOG

(Echinococcus
granulosus) 		PF00061
(Lipocalin) 		6 PHE A  16
VAL A  25
SER A  54
ASP A  77
ARG A  79
ARG A 127
 PLM  A1136 (-4.7A)
None
PLM  A1136 ( 4.9A)
PLM  A1136 (-3.8A)
PLM  A1136 (-4.6A)
PLM  A1136 (-4.4A)
 1.16A 2qm9A-1o8vA:
23.5		 2qm9A-1o8vA:
36.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o8v FATTY ACID BINDING
PROTEIN HOMOLOG

(Echinococcus
granulosus) 		PF00061
(Lipocalin) 		9 PHE A  16
VAL A  25
SER A  54
SER A  56
THR A  61
ASP A  77
ARG A  79
ARG A 127
TYR A 129
 PLM  A1136 (-4.7A)
None
PLM  A1136 ( 4.9A)
PLM  A1136 ( 3.8A)
None
PLM  A1136 (-3.8A)
PLM  A1136 (-4.6A)
PLM  A1136 (-4.4A)
PLM  A1136 (-4.6A)
 0.54A 2qm9A-1o8vA:
23.5		 2qm9A-1o8vA:
36.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pmp P2 MYELIN PROTEIN

(Bos taurus) 		PF00061
(Lipocalin) 		10 PHE A  16
VAL A  25
SER A  55
THR A  60
ALA A  75
ASP A  76
ARG A  78
CYH A 117
ARG A 126
TYR A 128
 OLA  A 200 ( 4.8A)
None
OLA  A 200 ( 4.3A)
None
OLA  A 200 ( 4.0A)
OLA  A 200 ( 4.7A)
None
OLA  A 200 ( 4.4A)
OLA  A 200 (-3.9A)
OLA  A 200 (-4.7A)
 0.54A 2qm9A-1pmpA:
24.5		 2qm9A-1pmpA:
63.04
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.
1t0p INTEGRIN ALPHA-L
INTERCELLULAR
ADHESION MOLECULE-3

(Homo sapiens) 		PF00092
(VWA)
PF03921
(ICAM_N) 		5 ALA B  35
SER A 270
THR A 273
ALA A 242
ASP A 244
 None
 1.40A 2qm9A-1t0pB:
undetectable		 2qm9A-1t0pB:
16.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tow FATTY ACID-BINDING
PROTEIN, ADIPOCYTE

(Homo sapiens) 		PF00061
(Lipocalin) 		7 PHE A  16
VAL A  23
SER A  53
THR A  60
ALA A  75
ARG A 126
TYR A 128
 CRZ  A 501 (-4.5A)
None
CRZ  A 501 ( 3.8A)
None
CRZ  A 501 ( 3.8A)
CRZ  A 501 (-3.8A)
CRZ  A 501 (-4.8A)
 1.32A 2qm9A-1towA:
25.6		 2qm9A-1towA:
91.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tow FATTY ACID-BINDING
PROTEIN, ADIPOCYTE

(Homo sapiens) 		PF00061
(Lipocalin) 		12 PHE A  16
VAL A  25
ALA A  33
SER A  53
SER A  55
THR A  60
ALA A  75
ASP A  76
ARG A  78
CYH A 117
ARG A 126
TYR A 128
 CRZ  A 501 (-4.5A)
None
CRZ  A 501 ( 4.1A)
CRZ  A 501 ( 3.8A)
CRZ  A 501 ( 4.8A)
None
CRZ  A 501 ( 3.8A)
CRZ  A 501 (-4.0A)
CRZ  A 501 (-4.7A)
CRZ  A 501 ( 3.8A)
CRZ  A 501 (-3.8A)
CRZ  A 501 (-4.8A)
 0.45A 2qm9A-1towA:
25.6		 2qm9A-1towA:
91.60
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A   5
ALA A 179
ALA A 188
ARG A   3
ARG B 173
 None
 1.21A 2qm9A-1tqyA:
undetectable		 2qm9A-1tqyA:
16.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cbr PROTEIN (CRABP-I)

(Bos taurus) 		PF00061
(Lipocalin) 		5 PHE A  15
ALA A  32
THR A  61
ARG A 131
TYR A 133
 None
A80  A 201 ( 4.1A)
None
A80  A 201 (-3.8A)
A80  A 201 (-4.7A)
 0.89A 2qm9A-2cbrA:
18.7		 2qm9A-2cbrA:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cbr PROTEIN (CRABP-I)

(Bos taurus) 		PF00061
(Lipocalin) 		5 PHE A  15
ALA A  32
THR A  61
CYH A 129
TYR A 133
 None
A80  A 201 ( 4.1A)
None
None
A80  A 201 (-4.7A)
 1.38A 2qm9A-2cbrA:
18.7		 2qm9A-2cbrA:
32.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cbr PROTEIN (CRABP-I)

(Bos taurus) 		PF00061
(Lipocalin) 		5 PHE A  15
VAL A  24
ALA A  32
THR A  61
CYH A 129
 None
None
A80  A 201 ( 4.1A)
None
None
 1.22A 2qm9A-2cbrA:
18.7		 2qm9A-2cbrA:
32.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv5 ADAM 17

(Homo sapiens) 		PF13688
(Reprolysin_5) 		5 VAL A 258
THR A 387
ALA A 399
ASP A 400
ARG A 257
 None
 1.32A 2qm9A-2fv5A:
undetectable		 2qm9A-2fv5A:
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.
2go7 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		5 VAL A  83
SER A 132
THR A 131
ALA A 113
ARG A  72
 None
None
None
None
CL  A 209 (-4.2A)
 1.46A 2qm9A-2go7A:
undetectable		 2qm9A-2go7A:
21.03
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.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		5 ALA G 219
THR G 136
ALA G 163
ASP G 183
ARG G 167
 None
 1.34A 2qm9A-2iouG:
undetectable		 2qm9A-2iouG:
14.67
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		5 PHE A  84
VAL A 394
ALA A 447
ASP A 414
ARG A 418
 None
 1.39A 2qm9A-2o36A:
undetectable		 2qm9A-2o36A:
10.85
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		5 PHE A  85
VAL A 395
ALA A 448
ASP A 415
ARG A 419
 None
 1.29A 2qm9A-2o3eA:
undetectable		 2qm9A-2o3eA:
14.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q9s FATTY ACID-BINDING
PROTEIN

(Mus musculus) 		PF00061
(Lipocalin) 		7 PHE A  16
VAL A  23
SER A  53
THR A  60
ALA A  75
ARG A 126
TYR A 128
 None
None
EIC  A 601 (-3.1A)
None
EIC  A 601 ( 4.1A)
EIC  A 601 (-4.5A)
EIC  A 601 (-4.7A)
 1.39A 2qm9A-2q9sA:
26.6		 2qm9A-2q9sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q9s FATTY ACID-BINDING
PROTEIN

(Mus musculus) 		PF00061
(Lipocalin) 		12 PHE A  16
VAL A  25
ALA A  33
SER A  53
SER A  55
THR A  60
ALA A  75
ASP A  76
ARG A  78
CYH A 117
ARG A 126
TYR A 128
 None
None
EIC  A 601 (-3.5A)
EIC  A 601 (-3.1A)
None
None
EIC  A 601 ( 4.1A)
EIC  A 601 (-3.6A)
EIC  A 601 ( 4.9A)
EIC  A 601 (-3.3A)
EIC  A 601 (-4.5A)
EIC  A 601 (-4.7A)
 0.37A 2qm9A-2q9sA:
26.6		 2qm9A-2q9sA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qeq FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT

(West Nile virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 PHE A 614
ALA A 541
ALA A 548
CYH A 564
ARG A 561
 None
 1.08A 2qm9A-2qeqA:
undetectable		 2qm9A-2qeqA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r7d RIBONUCLEASE II
FAMILY PROTEIN

(Deinococcus
radiodurans) 		PF00773
(RNB) 		5 ALA A 121
SER A 170
THR A  89
ALA A 103
ASP A 102
 None
None
None
None
MG  A1000 (-2.5A)
 1.50A 2qm9A-2r7dA:
undetectable		 2qm9A-2r7dA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsg VARIANT SURFACE
GLYCOPROTEIN ILTAT
1.24

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		5 PHE A 306
ALA A  66
THR A  73
ALA A 275
ASP A 278
 None
 1.19A 2qm9A-2vsgA:
undetectable		 2qm9A-2vsgA:
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.
2wv9 FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT, FLAVIVIRIN
PROTEASE NS3
CATALYTIC SUBUNIT

(Murray Valley
encephalitis
virus) 		PF00271
(Helicase_C)
PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B)
PF07652
(Flavi_DEAD) 		5 PHE A 614
ALA A 541
ALA A 548
CYH A 564
ARG A 561
 None
 1.13A 2qm9A-2wv9A:
undetectable		 2qm9A-2wv9A:
13.78
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 ALA A 319
THR A 274
ALA A 268
ASP A 291
ARG A 296
 SFG  A5748 (-3.4A)
None
None
SFG  A5748 (-2.9A)
SFG  A5748 (-3.0A)
 1.40A 2qm9A-2yxlA:
undetectable		 2qm9A-2yxlA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		5 VAL A 148
ALA A 218
SER A 183
THR A 179
ARG A 205
 None
None
None
None
SO4  A 512 (-4.1A)
 1.34A 2qm9A-2zm2A:
undetectable		 2qm9A-2zm2A:
21.56
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		5 ALA A 603
THR A 414
ALA A 581
ASP A 580
TYR A 592
 None
 1.36A 2qm9A-3ai7A:
undetectable		 2qm9A-3ai7A:
12.06
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 ALA A 358
THR A  53
ALA A 326
ASP A 327
TYR A 388
 None
 1.45A 2qm9A-3ihgA:
undetectable		 2qm9A-3ihgA:
13.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nr3 PMP2 PROTEIN

(Homo sapiens) 		PF00061
(Lipocalin) 		10 PHE A  17
VAL A  26
SER A  56
THR A  61
ALA A  76
ASP A  77
ARG A  79
CYH A 118
ARG A 127
TYR A 129
 None
None
PLM  A 901 (-3.7A)
None
PLM  A 901 ( 4.0A)
PLM  A 901 (-4.0A)
None
PLM  A 901 ( 3.8A)
PLM  A 901 (-4.6A)
PLM  A 901 (-4.6A)
 0.56A 2qm9A-3nr3A:
25.3		 2qm9A-3nr3A:
59.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nr3 PMP2 PROTEIN

(Homo sapiens) 		PF00061
(Lipocalin) 		8 PHE A  17
VAL A  26
SER A  56
THR A  61
ALA A  76
ASP A  77
CYH A 125
TYR A 129
 None
None
PLM  A 901 (-3.7A)
None
PLM  A 901 ( 4.0A)
PLM  A 901 (-4.0A)
None
PLM  A 901 (-4.6A)
 1.32A 2qm9A-3nr3A:
25.3		 2qm9A-3nr3A:
59.38
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.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PHE A 408
VAL A 238
ALA A 350
SER A 396
ALA A 167
 None
 1.35A 2qm9A-3o04A:
undetectable		 2qm9A-3o04A:
16.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pp6 SODIUM-CALCIUM
EXCHANGER

(Doryteuthis
pealeii) 		PF00061
(Lipocalin) 		7 PHE A  17
VAL A  26
ALA A  34
THR A  61
ASP A  77
ARG A  79
ARG A 126
 None
None
PAM  A 133 ( 3.7A)
PAM  A 133 (-3.7A)
PAM  A 133 (-4.3A)
None
PAM  A 133 (-3.9A)
 0.26A 2qm9A-3pp6A:
23.1		 2qm9A-3pp6A:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbg FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		10 PHE A  16
VAL A  25
ALA A  33
SER A  55
THR A  60
ALA A  75
ASP A  76
ARG A  78
ARG A 126
TYR A 128
 2AN  A 201 ( 4.9A)
None
2AN  A 201 (-3.8A)
2AN  A 201 (-3.2A)
None
2AN  A 201 ( 3.8A)
2AN  A 201 (-3.9A)
2AN  A 201 ( 4.8A)
2AN  A 201 ( 4.9A)
None
 0.66A 2qm9A-3wbgA:
25.0		 2qm9A-3wbgA:
58.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbg FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		7 VAL A  25
ALA A  33
SER A  55
ALA A  75
ASP A  76
CYH A 124
TYR A 128
 None
2AN  A 201 (-3.8A)
2AN  A 201 (-3.2A)
2AN  A 201 ( 3.8A)
2AN  A 201 (-3.9A)
None
None
 1.28A 2qm9A-3wbgA:
25.0		 2qm9A-3wbgA:
58.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbg FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		5 VAL A  25
ALA A  33
THR A  53
ASP A  76
ARG A  78
 None
2AN  A 201 (-3.8A)
2AN  A 201 ( 4.0A)
2AN  A 201 (-3.9A)
2AN  A 201 ( 4.8A)
 1.09A 2qm9A-3wbgA:
25.0		 2qm9A-3wbgA:
58.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wbg FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		5 VAL A  25
ALA A  33
THR A  53
ASP A  76
CYH A 124
 None
2AN  A 201 (-3.8A)
2AN  A 201 ( 4.0A)
2AN  A 201 (-3.9A)
None
 1.04A 2qm9A-3wbgA:
25.0		 2qm9A-3wbgA:
58.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP

(Homo sapiens) 		PF00061
(Lipocalin) 		10 PHE A  17
VAL A  26
ALA A  34
SER A  56
THR A  61
ASP A  77
ARG A  79
CYH A 118
ARG A 127
TYR A 129
 None
None
NA  A1132 ( 4.0A)
NA  A1132 (-2.9A)
None
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
None
None
None
 0.79A 2qm9A-4a60A:
24.3		 2qm9A-4a60A:
55.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP

(Homo sapiens) 		PF00061
(Lipocalin) 		10 PHE A  17
VAL A  26
SER A  56
THR A  61
ALA A  76
ASP A  77
ARG A  79
CYH A 118
ARG A 127
TYR A 129
 None
None
NA  A1132 (-2.9A)
None
EDO  A1134 ( 3.9A)
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
None
None
None
 0.73A 2qm9A-4a60A:
24.3		 2qm9A-4a60A:
55.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP

(Homo sapiens) 		PF00061
(Lipocalin) 		5 VAL A  26
ALA A  34
THR A  54
ASP A  77
ARG A  79
 None
NA  A1132 ( 4.0A)
None
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
 1.11A 2qm9A-4a60A:
24.3		 2qm9A-4a60A:
55.48
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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 VAL A 680
ALA A 624
THR A 108
ALA A 630
ARG A 722
 None
 1.09A 2qm9A-4aipA:
3.8		 2qm9A-4aipA:
13.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azn FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Mus musculus) 		PF00061
(Lipocalin) 		10 PHE A  19
VAL A  28
ALA A  36
THR A  63
ALA A  78
ASP A  79
ARG A  81
CYH A 120
ARG A 129
TYR A 131
 None
 0.81A 2qm9A-4aznA:
22.8		 2qm9A-4aznA:
47.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azn FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Mus musculus) 		PF00061
(Lipocalin) 		6 VAL A  28
ALA A  36
ALA A  78
ASP A  79
CYH A 127
TYR A 131
 None
 1.36A 2qm9A-4aznA:
22.8		 2qm9A-4aznA:
47.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Mus musculus) 		PF00061
(Lipocalin) 		5 PHE A  19
ALA A  37
CYH A 120
ARG A 129
TYR A 131
 None
None
A9M  A1136 ( 3.8A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 1.36A 2qm9A-4azpA:
24.3		 2qm9A-4azpA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Mus musculus) 		PF00061
(Lipocalin) 		11 PHE A  19
VAL A  28
ALA A  36
SER A  58
THR A  63
ALA A  78
ASP A  79
ARG A  81
CYH A 120
ARG A 129
TYR A 131
 None
None
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.1A)
None
A9M  A1136 (-3.5A)
A9M  A1136 (-4.0A)
None
A9M  A1136 ( 3.8A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 0.50A 2qm9A-4azpA:
24.3		 2qm9A-4azpA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Mus musculus) 		PF00061
(Lipocalin) 		7 VAL A  28
ALA A  36
SER A  58
ALA A  78
ASP A  79
CYH A 127
TYR A 131
 None
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.1A)
A9M  A1136 (-3.5A)
A9M  A1136 (-4.0A)
None
A9M  A1136 (-4.8A)
 1.25A 2qm9A-4azpA:
24.3		 2qm9A-4azpA:
48.39
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.
4e2u PHO RADA INTEIN

(Pyrococcus
horikoshii) 		PF14890
(Intein_splicing) 		5 VAL A 155
SER A  92
THR A  90
ALA A   1
ASP A 153
 None
 1.44A 2qm9A-4e2uA:
undetectable		 2qm9A-4e2uA:
25.67
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.
4e3e MAOC DOMAIN PROTEIN
DEHYDRATASE

(Chloroflexus
aurantiacus) 		PF01575
(MaoC_dehydratas) 		5 PHE A  45
ALA A 267
SER A 294
ARG A 259
TYR A 345
 None
 0.98A 2qm9A-4e3eA:
undetectable		 2qm9A-4e3eA:
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.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 ALA A 142
SER A 151
THR A 208
ALA A 172
ASP A 173
 None
 1.43A 2qm9A-4hl6A:
undetectable		 2qm9A-4hl6A:
16.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i3c BILIRUBIN-INDUCIBLE
FLUORESCENT PROTEIN
UNAG

(Anguilla
japonica) 		PF00061
(Lipocalin) 		5 PHE A  17
ASP A  81
ARG A  83
ARG A 132
TYR A 134
 BLR  A 200 (-3.6A)
None
None
BLR  A 200 (-3.5A)
None
 0.85A 2qm9A-4i3cA:
21.6		 2qm9A-4i3cA:
40.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i3c BILIRUBIN-INDUCIBLE
FLUORESCENT PROTEIN
UNAG

(Anguilla
japonica) 		PF00061
(Lipocalin) 		5 PHE A  17
THR A  65
ARG A  83
ARG A 132
TYR A 134
 BLR  A 200 (-3.6A)
BLR  A 200 ( 4.0A)
None
BLR  A 200 (-3.5A)
None
 0.90A 2qm9A-4i3cA:
21.6		 2qm9A-4i3cA:
40.13
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.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 PHE A 377
ALA A 372
THR A 360
ALA A 367
ASP A 370
 None
 1.35A 2qm9A-4k05A:
undetectable		 2qm9A-4k05A:
17.62
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.
4mzv EPITHELIAL CELL
ADHESION MOLECULE

(Homo sapiens) 		PF00086
(Thyroglobulin_1) 		5 ALA A  64
ALA A 210
ASP A 208
ARG A 140
TYR A  95
 None
 1.41A 2qm9A-4mzvA:
undetectable		 2qm9A-4mzvA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 VAL A  90
ALA A 186
SER A 182
THR A 138
ALA A  70
 None
 1.22A 2qm9A-4nefA:
undetectable		 2qm9A-4nefA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nns FATTY ACID-BINDING
PROTEIN, ADIPOCYTE

(Homo sapiens) 		PF00061
(Lipocalin) 		6 PHE A  16
VAL A  23
SER A  53
THR A  60
ARG A 126
TYR A 128
 None
None
75D  A 201 (-2.5A)
None
75D  A 201 (-3.9A)
None
 1.24A 2qm9A-4nnsA:
26.5		 2qm9A-4nnsA:
81.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nns FATTY ACID-BINDING
PROTEIN, ADIPOCYTE

(Homo sapiens) 		PF00061
(Lipocalin) 		12 PHE A  16
VAL A  25
ALA A  33
SER A  53
SER A  55
THR A  60
ALA A  75
ASP A  76
ARG A  78
CYH A 117
ARG A 126
TYR A 128
 None
None
75D  A 201 ( 4.1A)
75D  A 201 (-2.5A)
75D  A 201 ( 4.7A)
None
75D  A 201 (-3.6A)
75D  A 201 (-4.1A)
75D  A 201 (-4.7A)
75D  A 201 (-3.5A)
75D  A 201 (-3.9A)
None
 0.43A 2qm9A-4nnsA:
26.5		 2qm9A-4nnsA:
81.41
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.
4pmw DIS3-LIKE
EXONUCLEASE 2

(Mus musculus) 		PF00773
(RNB)
PF17216
(Rrp44_CSD1) 		5 PHE A 462
VAL A 591
SER A 720
ALA A 716
ARG A 481
 None
 1.49A 2qm9A-4pmwA:
undetectable		 2qm9A-4pmwA:
11.48
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.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		5 VAL A  45
ALA A  35
SER A  82
ALA A  88
CYH A 105
 None
 1.10A 2qm9A-4qnwA:
undetectable		 2qm9A-4qnwA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 VAL A  11
THR A 208
ALA A 400
ASP A 403
ARG A  10
 None
 0.95A 2qm9A-4wjbA:
undetectable		 2qm9A-4wjbA:
15.68
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.
5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei) 		PF00348
(polyprenyl_synt) 		5 VAL B  81
SER B 348
THR B 234
ALA B 231
ARG B  77
 None
 1.08A 2qm9A-5ahuB:
undetectable		 2qm9A-5ahuB:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		5 VAL A 155
ALA A 165
THR A 119
ALA A 151
ASP A 152
 None
 1.33A 2qm9A-5ampA:
undetectable		 2qm9A-5ampA:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b29 FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		9 VAL A  25
ALA A  33
SER A  55
THR A  60
ALA A  75
ASP A  76
ARG A  78
ARG A 126
TYR A 128
 None
PLM  A 200 ( 3.7A)
PLM  A 200 ( 4.1A)
PLM  A 200 ( 4.8A)
PLM  A 200 ( 4.0A)
PLM  A 200 ( 4.3A)
None
PLM  A 200 (-3.7A)
PLM  A 200 (-4.8A)
 0.68A 2qm9A-5b29A:
24.7		 2qm9A-5b29A:
62.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b29 FATTY ACID-BINDING
PROTEIN, HEART

(Homo sapiens) 		PF00061
(Lipocalin) 		6 VAL A  25
SER A  55
ALA A  75
ASP A  76
CYH A 124
TYR A 128
 None
PLM  A 200 ( 4.1A)
PLM  A 200 ( 4.0A)
PLM  A 200 ( 4.3A)
None
PLM  A 200 (-4.8A)
 1.26A 2qm9A-5b29A:
24.7		 2qm9A-5b29A:
62.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bvq FATTY ACID-BINDING
PROTEIN

(Pygoscelis
papua) 		PF00061
(Lipocalin) 		5 PHE A  17
VAL A  26
ALA A  34
THR A  54
CYH A 118
 None
 1.05A 2qm9A-5bvqA:
23.5		 2qm9A-5bvqA:
73.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bvq FATTY ACID-BINDING
PROTEIN

(Pygoscelis
papua) 		PF00061
(Lipocalin) 		9 PHE A  17
VAL A  26
ALA A  34
THR A  61
ALA A  76
ASP A  77
ARG A  79
CYH A 118
TYR A 129
 None
 0.50A 2qm9A-5bvqA:
23.5		 2qm9A-5bvqA:
73.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bvq FATTY ACID-BINDING
PROTEIN

(Pygoscelis
papua) 		PF00061
(Lipocalin) 		8 PHE A  17
VAL A  26
ALA A  34
THR A  61
ALA A  76
ASP A  77
ARG A 127
TYR A 129
 None
 1.28A 2qm9A-5bvqA:
23.5		 2qm9A-5bvqA:
73.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bvt EPIDERMAL FATTY
ACID-BINDING PROTEIN

(Pygoscelis
papua) 		PF00061
(Lipocalin) 		8 PHE A  19
VAL A  28
SER A  58
ASP A  79
ARG A  81
CYH A 121
ARG A 130
TYR A 132
 PAM  A 201 ( 4.9A)
None
PAM  A 201 ( 3.9A)
PAM  A 201 (-4.0A)
None
PAM  A 201 ( 4.0A)
PAM  A 201 ( 4.6A)
None
 0.55A 2qm9A-5bvtA:
24.8		 2qm9A-5bvtA:
47.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bvt EPIDERMAL FATTY
ACID-BINDING PROTEIN

(Pygoscelis
papua) 		PF00061
(Lipocalin) 		6 VAL A  28
SER A  58
ASP A  79
CYH A 128
ARG A 130
TYR A 132
 None
PAM  A 201 ( 3.9A)
PAM  A 201 (-4.0A)
None
PAM  A 201 ( 4.6A)
None
 1.43A 2qm9A-5bvtA:
24.8		 2qm9A-5bvtA:
47.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bvt EPIDERMAL FATTY
ACID-BINDING PROTEIN

(Pygoscelis
papua) 		PF00061
(Lipocalin) 		5 VAL A  28
THR A  56
ASP A  79
ARG A  81
CYH A 121
 None
None
PAM  A 201 (-4.0A)
None
PAM  A 201 ( 4.0A)
 1.07A 2qm9A-5bvtA:
24.8		 2qm9A-5bvtA:
47.06
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.
5c5x AQUAPORIN-5

(Homo sapiens) 		PF00230
(MIP) 		5 VAL A  91
ALA A 187
SER A 183
THR A 139
ALA A  71
 None
 1.30A 2qm9A-5c5xA:
undetectable		 2qm9A-5c5xA:
21.77
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.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae) 		PF00463
(ICL) 		5 SER A  65
SER A  61
ALA A 240
ASP A 241
ARG A  41
 None
 1.39A 2qm9A-5e9gA:
undetectable		 2qm9A-5e9gA:
13.97
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.
5ewq AMIDASE

(Bacillus
anthracis) 		PF01425
(Amidase) 		5 VAL A  69
SER A 110
ALA A 237
ASP A 238
ARG A 291
 None
 1.42A 2qm9A-5ewqA:
undetectable		 2qm9A-5ewqA:
16.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gkb FATTY ACID BINDIN
PROTEIN, ISOFORM B

(Drosophila
melanogaster) 		PF00061
(Lipocalin) 		5 PHE A  16
VAL A  25
SER A  55
ARG A 125
TYR A 127
 None
 0.72A 2qm9A-5gkbA:
20.6		 2qm9A-5gkbA:
42.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hz5 FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Homo sapiens) 		PF00061
(Lipocalin) 		9 PHE A  19
VAL A  28
SER A  58
THR A  63
ALA A  78
ASP A  79
ARG A  81
ARG A 129
TYR A 131
 65X  A 203 ( 4.7A)
None
65X  A 203 ( 3.7A)
65X  A 203 ( 4.8A)
65X  A 203 (-3.5A)
65X  A 203 ( 4.2A)
None
65X  A 203 (-3.9A)
None
 0.60A 2qm9A-5hz5A:
23.9		 2qm9A-5hz5A:
47.68
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.
5n2s SOLUBLE CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 PHE A1348
ALA A1196
SER A1240
ALA A1159
ASP A1160
 None
8K8  A2001 ( 3.5A)
None
None
None
 1.46A 2qm9A-5n2sA:
undetectable		 2qm9A-5n2sA:
16.35
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.
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN

(Homo sapiens) 		PF00400
(WD40) 		5 SER A 304
THR A 347
ALA A 373
ASP A 375
ARG A 377
 None
 1.47A 2qm9A-5tf2A:
undetectable		 2qm9A-5tf2A:
15.91
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.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 5 PHE A 377
VAL A 388
ALA A  87
THR A 394
ARG A 378
 None
 1.46A 2qm9A-5wbgA:
undetectable		 2qm9A-5wbgA:
20.38
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.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E
PHASE 2
FLAGELLIN,FLAGELLIN

(Mus musculus;
Salmonella
enterica) 		no annotation 5 PHE A 844
ALA C 438
SER A 852
ASP C 436
ARG A 897
 None
 1.33A 2qm9A-5yudA:
undetectable		 2qm9A-5yudA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yvf -

(-) 		no annotation 5 PHE A  65
ALA A  96
ARG A 238
CYH A 206
TYR A 164
 None
 1.41A 2qm9A-5yvfA:
2.1		 2qm9A-5yvfA:
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 5 VAL A1740
THR A1328
ALA A1710
ASP A1713
ARG A1736
 None
 1.06A 2qm9A-5zalA:
undetectable		 2qm9A-5zalA:
20.38