SIMILAR PATTERNS OF AMINO ACIDS FOR 2J1G_F_SC2F1290

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.
1hfx ALPHA-LACTALBUMIN

(Cavia porcellus) 		PF00062
(Lys) 		5 LEU A  52
LEU A   3
ASP A  83
ASP A  82
GLU A  11
 None
None
None
CA  A 124 (-2.9A)
None
 1.14A 2j1gE-1hfxA:
undetectable
2j1gF-1hfxA:
undetectable		 2j1gE-1hfxA:
18.35
2j1gF-1hfxA:
18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jc9 TECHYLECTIN-5A

(Tachypleus
tridentatus) 		PF00147
(Fibrinogen_C) 		6 SER A  60
ASP A  81
THR A  84
ARG A  94
GLU A 256
LYS A 258
 None
 1.15A 2j1gE-1jc9A:
35.5
2j1gF-1jc9A:
35.3		 2j1gE-1jc9A:
40.08
2j1gF-1jc9A:
40.08
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 SER A  89
LEU A 100
LEU A 116
ASP A  79
THR A  82
 None
 1.41A 2j1gE-1sp8A:
0.0
2j1gF-1sp8A:
0.0		 2j1gE-1sp8A:
19.62
2j1gF-1sp8A:
19.62
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.
1yln HYPOTHETICAL PROTEIN
VCA0042

(Vibrio cholerae) 		PF07238
(PilZ)
PF12945
(YcgR_2) 		5 LEU A 145
SER A 191
LEU A 246
ASP A 192
THR A 196
 None
 1.26A 2j1gE-1ylnA:
undetectable
2j1gF-1ylnA:
0.0		 2j1gE-1ylnA:
22.76
2j1gF-1ylnA:
22.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d39 FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		8 SER A 129
LEU A 145
ASP A 147
ASP A 149
THR A 150
ARG A 160
GLU A 320
LYS A 322
 None
 0.42A 2j1gE-2d39A:
33.6
2j1gF-2d39A:
33.4		 2j1gE-2d39A:
81.65
2j1gF-2d39A:
81.65
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 LEU A 344
LEU A  54
THR A 409
ARG A  57
GLU A 405
 None
 1.45A 2j1gE-2gq3A:
0.0
2j1gF-2gq3A:
0.0		 2j1gE-2gq3A:
15.32
2j1gF-2gq3A:
15.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j64 FICOLIN-3

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 SER A  26
ASP A  44
ASP A  46
THR A  47
ARG A  57
 None
 0.98A 2j1gE-2j64A:
36.1
2j1gF-2j64A:
36.0		 2j1gE-2j64A:
51.38
2j1gF-2j64A:
51.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		8 SER F 100
LEU F 116
ASP F 118
ASP F 120
THR F 121
ARG F 131
GLU F 291
LYS F 293
 None
 0.55A 2j1gE-2wnpF:
40.7
2j1gF-2wnpF:
40.6		 2j1gE-2wnpF:
83.49
2j1gF-2wnpF:
83.49
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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 LEU A 178
SER A 281
LEU A 285
THR A 243
LYS A 287
 None
 1.30A 2j1gE-3czeA:
0.0
2j1gF-3czeA:
undetectable		 2j1gE-3czeA:
15.23
2j1gF-3czeA:
15.23
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.
3fwy LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Rhodobacter
sphaeroides) 		PF00142
(Fer4_NifH) 		5 SER A  49
LEU A  77
SER A  48
ASP A 153
GLU A 116
 None
None
None
MG  A 401 ( 4.0A)
None
 1.30A 2j1gE-3fwyA:
undetectable
2j1gF-3fwyA:
undetectable		 2j1gE-3fwyA:
20.07
2j1gF-3fwyA:
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.
3nhi D7 PROTEIN

(Anopheles
stephensi) 		PF01395
(PBP_GOBP) 		5 ASP A 202
ASP A 203
THR A 204
ARG A 199
LYS A 207
 None
 1.45A 2j1gE-3nhiA:
undetectable
2j1gF-3nhiA:
undetectable		 2j1gE-3nhiA:
21.31
2j1gF-3nhiA:
21.31
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.
3o0l UNCHARACTERIZED
PROTEIN

(Shewanella
loihica) 		PF07233
(DUF1425) 		5 SER A  65
LEU A  99
SER A  67
ASP A  42
GLU A 125
 None
 1.46A 2j1gE-3o0lA:
undetectable
2j1gF-3o0lA:
undetectable		 2j1gE-3o0lA:
18.83
2j1gF-3o0lA:
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 LEU A 206
ASP A  76
THR A  79
ARG A  56
GLU A  33
 None
 1.39A 2j1gE-3zxsA:
undetectable
2j1gF-3zxsA:
undetectable		 2j1gE-3zxsA:
15.65
2j1gF-3zxsA:
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.
4cvy DIOXYGENASE
RV3406/MT3514

(Mycobacterium
tuberculosis) 		PF02668
(TauD) 		5 LEU A  64
LEU A  38
ASP A 245
ARG A  35
GLU A 191
 None
 1.42A 2j1gE-4cvyA:
undetectable
2j1gF-4cvyA:
undetectable		 2j1gE-4cvyA:
20.32
2j1gF-4cvyA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dte SERPIN PEPTIDASE
INHIBITOR, CLADE E
(NEXIN, PLASMINOGEN
ACTIVATOR INHIBITOR
TYPE 1), MEMBER 1

(Danio rerio) 		PF00079
(Serpin) 		5 LEU A 362
SER A 248
LEU A  12
ASP A   9
ASP A   5
 None
 1.34A 2j1gE-4dteA:
undetectable
2j1gF-4dteA:
undetectable		 2j1gE-4dteA:
19.13
2j1gF-4dteA:
19.13
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.
4gpc HEME OXYGENASE

(Corynebacterium
diphtheriae) 		PF01126
(Heme_oxygenase) 		5 LEU A 193
LEU A   8
ASP A 187
GLU A  11
LYS A   4
 None
 1.29A 2j1gE-4gpcA:
undetectable
2j1gF-4gpcA:
undetectable		 2j1gE-4gpcA:
23.31
2j1gF-4gpcA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 SER A 566
LEU A 534
ASP A 532
ASP A 568
THR A 530
 None
 1.34A 2j1gE-4k3cA:
undetectable
2j1gF-4k3cA:
undetectable		 2j1gE-4k3cA:
19.51
2j1gF-4k3cA:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7f FIBRINOGEN C
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 ASP A 274
THR A 277
ARG A 287
GLU A 451
LYS A 453
 None
 1.26A 2j1gE-4m7fA:
36.9
2j1gF-4m7fA:
36.9		 2j1gE-4m7fA:
50.44
2j1gF-4m7fA:
50.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4otk MYCOBACTERIAL ENZYME
RV2971

(Mycobacterium
tuberculosis) 		PF00248
(Aldo_ket_red) 		5 SER A  70
LEU A  44
LEU A  77
ARG A  49
GLU A  76
 None
 1.04A 2j1gE-4otkA:
undetectable
2j1gF-4otkA:
undetectable		 2j1gE-4otkA:
21.77
2j1gF-4otkA:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r9j FICOLIN-2

(Homo sapiens) 		no annotation 8 SER G  91
LEU G 107
ASP G 109
ASP G 111
THR G 112
ARG G 122
GLU G 282
LYS G 284
 None
 0.29A 2j1gE-4r9jG:
41.7
2j1gF-4r9jG:
41.3		 2j1gE-4r9jG:
99.08
2j1gF-4r9jG:
99.08
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		5 SER A 320
ASP A 409
ASP A 411
THR A 412
LYS A 350
 ADP  A 701 ( 2.4A)
MG  A 702 ( 4.3A)
MG  A 702 ( 4.2A)
None
None
 1.50A 2j1gE-4yj1A:
undetectable
2j1gF-4yj1A:
undetectable		 2j1gE-4yj1A:
15.26
2j1gF-4yj1A:
15.26
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		5 SER A 320
ASP A 411
THR A 412
GLU A 556
LYS A 350
 ADP  A 701 ( 2.4A)
MG  A 702 ( 4.2A)
None
None
None
 1.41A 2j1gE-4yj1A:
undetectable
2j1gF-4yj1A:
undetectable		 2j1gE-4yj1A:
15.26
2j1gF-4yj1A:
15.26
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.
5a7y TRNA
(ADENINE(9)-N1)-METH
YLTRANSFERASE

(Sulfolobus
acidocaldarius) 		no annotation 5 SER A  30
LEU A  31
SER A  27
LEU A  60
ASP A  55
 None
 1.26A 2j1gE-5a7yA:
undetectable
2j1gF-5a7yA:
undetectable		 2j1gE-5a7yA:
20.94
2j1gF-5a7yA:
20.94
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.
5c98 AGAP007691-PB

(Anopheles
gambiae) 		PF00079
(Serpin) 		5 SER A 145
LEU A 111
ASP A 138
ASP A 141
GLU A 113
 None
 1.45A 2j1gE-5c98A:
undetectable
2j1gF-5c98A:
undetectable		 2j1gE-5c98A:
20.28
2j1gF-5c98A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ow6 VP1

(Cucumber mosaic
virus) 		PF00760
(Cucumo_coat) 		5 LEU A 199
SER A 119
LEU A 194
ASP A 192
ASP A 118
 None
 1.36A 2j1gE-5ow6A:
undetectable
2j1gF-5ow6A:
undetectable		 2j1gE-5ow6A:
23.35
2j1gF-5ow6A:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 LEU A 344
LEU A  54
THR A 413
ARG A  57
GLU A 409
 None
 1.46A 2j1gE-6axeA:
undetectable
2j1gF-6axeA:
undetectable		 2j1gE-6axeA:
14.93
2j1gF-6axeA:
14.93