SIMILAR PATTERNS OF AMINO ACIDS FOR 1TD2_A_PXLA288

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.
1rfv PYRIDOXAL KINASE

(Ovis aries) 		PF08543
(Phos_pyr_kin) 		6 SER A  12
VAL A  14
HIS A  46
THR A  47
VAL A 231
ASP A 235
 None
 0.50A 1td2A-1rfvA:
37.3		 1td2A-1rfvA:
32.71
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		5 SER A 107
VAL A 104
ALA A 273
HIS A 270
GLN A 236
 None
SUC  A 290 (-4.7A)
SUC  A 290 ( 4.2A)
SUC  A 290 ( 3.9A)
None
 1.49A 1td2A-2gupA:
undetectable		 1td2A-2gupA:
21.49
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.
2i7g MONOOXYGENASE

(Agrobacterium
fabrum) 		PF00296
(Bac_luciferase) 		5 ALA A 273
HIS A 274
THR A 270
TYR A 251
ASP A 276
 None
 1.23A 1td2A-2i7gA:
2.1		 1td2A-2i7gA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 SER A 429
VAL A 433
ALA A 373
HIS A 445
TYR A 448
 None
 1.46A 1td2A-3fahA:
undetectable		 1td2A-3fahA:
16.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fhx PYRIDOXAL KINASE

(Homo sapiens) 		PF08543
(Phos_pyr_kin) 		5 SER A  12
VAL A  14
HIS A  46
THR A  47
VAL A 231
 PXL  A 313 (-3.3A)
None
PXL  A 313 (-4.9A)
PXL  A 313 (-2.7A)
SO4  A 314 ( 4.0A)
 0.68A 1td2A-3fhxA:
37.6		 1td2A-3fhxA:
31.90
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.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 SER A 246
VAL A 133
ALA A 248
HIS A 135
VAL A 146
 None
None
None
CU  A1502 (-3.2A)
None
 1.46A 1td2A-3h4hA:
undetectable		 1td2A-3h4hA:
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 SER A 112
VAL A  41
ALA A 144
VAL A 204
ASP A 145
 None
 1.45A 1td2A-3hnrA:
4.6		 1td2A-3hnrA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mbh PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacteroides
thetaiotaomicron) 		PF08543
(Phos_pyr_kin) 		5 HIS A  48
THR A  49
GLN A  50
TYR A  84
ASP A 224
 None
PXL  A 400 (-2.9A)
PXL  A 400 (-4.0A)
PXL  A 400 (-3.7A)
PXL  A 400 (-2.4A)
 0.30A 1td2A-3mbhA:
34.0		 1td2A-3mbhA:
27.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		8 SER A   9
ALA A  16
HIS A  43
THR A  44
GLN A  45
TYR A  82
VAL A 219
ASP A 223
 None
None
None
None
None
None
SO4  A 288 (-3.6A)
SO4  A 288 (-3.4A)
 0.93A 1td2A-3pzsA:
46.6		 1td2A-3pzsA:
74.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		8 SER A   9
VAL A  11
ALA A  16
HIS A  43
THR A  44
GLN A  45
VAL A 219
ASP A 223
 None
None
None
None
None
None
SO4  A 288 (-3.6A)
SO4  A 288 (-3.4A)
 0.57A 1td2A-3pzsA:
46.6		 1td2A-3pzsA:
74.39
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.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		5 ALA A 134
HIS A 164
GLN A  50
VAL A  47
ASP A 135
 None
 1.49A 1td2A-3wvoA:
undetectable		 1td2A-3wvoA:
19.93
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.
3zou FARNESYL
PYROPHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00348
(polyprenyl_synt) 		5 SER A  38
VAL A  81
ALA A 109
HIS A 101
TYR A  37
 None
 1.26A 1td2A-3zouA:
undetectable		 1td2A-3zouA:
23.03
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.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		5 SER A  11
VAL A  13
HIS A  45
TYR A  84
ASP A 229
 None
None
None
None
ATP  A1301 ( 4.5A)
 0.77A 1td2A-3zs7A:
35.1		 1td2A-3zs7A:
28.20
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.
487d PROTEIN (50S L14
RIBOSOMAL PROTEIN)

(Geobacillus
stearothermophilus) 		PF00238
(Ribosomal_L14) 		5 SER M  14
VAL M  52
ALA M  16
CYH M  84
VAL M  19
 None
 1.27A 1td2A-487dM:
undetectable		 1td2A-487dM:
18.44
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.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		5 ALA A 334
THR A  25
GLN A 332
TYR A 312
ASP A 311
 None
 1.38A 1td2A-4kr8A:
undetectable		 1td2A-4kr8A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4per RIBONUCLEASE
INHIBITOR

(Gallus gallus) 		PF13516
(LRR_6) 		5 ALA A 151
THR A 180
GLN A 184
VAL A 154
ASP A 152
 None
 1.36A 1td2A-4perA:
undetectable		 1td2A-4perA:
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.
4s0v HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 VAL A 140
ALA A  99
GLN A 134
VAL A 103
ASP A 100
 None
None
SUV  A2001 (-3.5A)
None
None
 1.34A 1td2A-4s0vA:
2.5		 1td2A-4s0vA:
19.35
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.
4s1i PYRIDOXAL KINASE

(Entamoeba
histolytica) 		PF08543
(Phos_pyr_kin) 		6 SER B  10
VAL B  12
HIS B  44
THR B  45
TYR B  83
ASP B 218
 PLP  B 302 (-2.4A)
None
PLP  B 302 (-3.8A)
PLP  B 302 (-3.2A)
PLP  B 302 (-3.8A)
PLP  B 302 (-3.5A)
 0.32A 1td2A-4s1iB:
32.9		 1td2A-4s1iB:
27.97
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 5 HIS E 151
THR E 130
GLN E 132
TYR E 194
ASP E 190
 None
 1.11A 1td2A-4xmmE:
undetectable		 1td2A-4xmmE:
13.88
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.
4zj8 HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 VAL A 132
ALA A  91
GLN A 126
VAL A  95
ASP A  92
 None
None
SUV  A2001 (-3.8A)
None
None
 1.26A 1td2A-4zj8A:
3.4		 1td2A-4zj8A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5akr COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 SER A 246
VAL A 133
ALA A 248
HIS A 135
VAL A 146
 None
None
None
CU  A 502 (-3.2A)
None
 1.47A 1td2A-5akrA:
undetectable		 1td2A-5akrA:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		8 SER A  12
VAL A  14
ALA A  19
HIS A  46
THR A  47
GLN A  48
VAL A 221
ASP A 225
 TRS  A 301 (-3.1A)
None
TRS  A 301 ( 3.7A)
None
TRS  A 301 (-3.0A)
None
None
MG  A 302 (-3.0A)
 0.56A 1td2A-5b6aA:
43.8		 1td2A-5b6aA:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		6 SER A   9
ALA A  16
HIS A  43
GLN A  45
VAL A 217
ASP A 221
 None
 0.76A 1td2A-5tqiA:
21.8		 1td2A-5tqiA:
50.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		6 SER A   9
VAL A  11
ALA A  16
HIS A  43
VAL A 217
ASP A 221
 None
 0.38A 1td2A-5tqiA:
21.8		 1td2A-5tqiA:
50.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		6 ALA A  17
HIS A  44
GLN A  46
TYR A  83
VAL A 218
ASP A 222
 None
 0.69A 1td2A-5trwA:
44.0		 1td2A-5trwA:
54.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		8 SER A  10
VAL A  12
ALA A  17
HIS A  44
THR A  45
GLN A  46
VAL A 218
ASP A 222
 None
 0.25A 1td2A-5trwA:
44.0		 1td2A-5trwA:
54.92
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 SER A 494
VAL A 443
ALA A 491
GLN A 237
VAL A 488
 None
 1.43A 1td2A-5tusA:
2.3		 1td2A-5tusA:
17.30
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 5 SER B 425
VAL B 378
HIS B 407
THR B 405
ASP B 429
 None
None
D5E  B 501 ( 4.8A)
None
None
 1.44A 1td2A-6fd2B:
3.3		 1td2A-6fd2B:
13.81