SIMILAR PATTERNS OF AMINO ACIDS FOR 5OCS_A_ACTA402_0

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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 ILE A 250
HIS A 435
HIS A 448
TYR A 427
 None
None
PTE  A 609 (-4.5A)
None
 1.46A 5ocsA-1aorA:
undetectable		 5ocsA-1aorA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 CYH A  20
ILE A 111
HIS A  13
HIS A  45
 FSX  A 269 (-1.5A)
None
None
None
 1.29A 5ocsA-1e3dA:
undetectable		 5ocsA-1e3dA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s59 NUCLEOSIDE
DIPHOSPHATE KINASE
II

(Arabidopsis
thaliana) 		PF00334
(NDK) 		4 ILE A 147
HIS A 130
HIS A 197
TYR A 131
 None
None
DGI  A1101 ( 4.9A)
None
 1.20A 5ocsA-1s59A:
undetectable		 5ocsA-1s59A:
17.02
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.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 CYH A  20
ILE A 109
HIS A  13
HIS A  45
 SF4  A 267 (-2.3A)
None
None
None
 1.35A 5ocsA-1yq9A:
undetectable		 5ocsA-1yq9A:
22.74
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.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 CYH A  20
ILE A 109
HIS A  13
TYR A  11
 SF4  A 267 (-2.3A)
None
None
None
 1.23A 5ocsA-1yq9A:
undetectable		 5ocsA-1yq9A:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z48 PROBABLE
NADH-DEPENDENT
FLAVIN
OXIDOREDUCTASE YQJM

(Bacillus
subtilis) 		PF00724
(Oxidored_FMN) 		5 CYH A  26
ILE A  69
HIS A 164
HIS A 167
TYR A 169
 FMN  A1500 (-2.9A)
None
FMN  A1500 (-3.9A)
FMN  A1500 (-4.3A)
None
 0.17A 5ocsA-1z48A:
50.2		 5ocsA-1z48A:
38.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 CYH A  25
ILE A  66
HIS A 178
HIS A 181
TYR A 183
 FMN  A1401 (-3.1A)
None
FMN  A1401 ( 3.7A)
SO4  A1507 ( 3.8A)
SO4  A1507 (-4.4A)
 0.21A 5ocsA-2h8xA:
53.0		 5ocsA-2h8xA:
44.77
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		4 ILE A 189
HIS A 191
HIS A  75
TYR A 195
 None
 1.37A 5ocsA-2yb4A:
3.3		 5ocsA-2yb4A:
24.17
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.
3ca8 PROTEIN YDCF

(Escherichia
coli) 		PF02698
(DUF218) 		4 ILE A 105
HIS A  85
HIS A  87
TYR A  88
 None
None
MPD  A 908 (-3.8A)
MPD  A 908 (-4.3A)
 1.35A 5ocsA-3ca8A:
0.7		 5ocsA-3ca8A:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gr8 NADPH DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00724
(Oxidored_FMN) 		4 CYH A  26
HIS A 164
HIS A 167
TYR A 169
 FMN  A 341 (-3.0A)
FMN  A 341 (-4.0A)
None
None
 0.92A 5ocsA-3gr8A:
51.0		 5ocsA-3gr8A:
41.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gr8 NADPH DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00724
(Oxidored_FMN) 		4 CYH A  26
ILE A  69
HIS A 164
TYR A 169
 FMN  A 341 (-3.0A)
None
FMN  A 341 (-4.0A)
None
 0.21A 5ocsA-3gr8A:
51.0		 5ocsA-3gr8A:
41.71
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.
3jyg UNCHARACTERIZED
PROTEIN

(Wolinella
succinogenes) 		PF01242
(PTPS) 		4 ILE A 142
HIS A  15
HIS A  40
TYR A  13
 None
ZN  A 200 (-3.5A)
ZN  A 200 (-3.4A)
None
 1.17A 5ocsA-3jygA:
undetectable		 5ocsA-3jygA:
18.93
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		4 CYH A 263
ILE A 330
HIS A 158
HIS A 182
 None
None
None
Z97  A 767 (-4.0A)
 1.39A 5ocsA-3koyA:
10.0		 5ocsA-3koyA:
19.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		5 CYH A  25
ILE A  67
HIS A 163
HIS A 166
TYR A 168
 FMN  A 401 (-3.2A)
None
FMN  A 401 ( 3.9A)
TXD  A 402 ( 3.8A)
TXD  A 402 (-4.6A)
 0.20A 5ocsA-3krzA:
49.6		 5ocsA-3krzA:
39.78
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.
3l8u PUTATIVE RRNA
METHYLASE

(Streptococcus
mutans) 		PF00588
(SpoU_methylase) 		4 ILE A  85
HIS A  46
HIS A  74
TYR A  76
 None
 1.43A 5ocsA-3l8uA:
undetectable		 5ocsA-3l8uA:
16.27
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.
3q8y NUCLEOSIDE
DIPHOSPHATE KINASE

(Staphylococcus
aureus) 		PF00334
(NDK) 		4 ILE A  65
HIS A  48
HIS A 115
TYR A  49
 None
None
VO4  A 159 (-2.7A)
None
 1.12A 5ocsA-3q8yA:
undetectable		 5ocsA-3q8yA:
17.16
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.
3wxw ADIPONECTIN RECEPTOR
PROTEIN 2

(Homo sapiens) 		PF03006
(HlyIII) 		4 CYH A 194
ILE A 223
HIS A 352
HIS A 202
 None
None
ZN  A 401 (-3.2A)
ZN  A 401 (-3.5A)
 1.43A 5ocsA-3wxwA:
undetectable		 5ocsA-3wxwA:
19.47
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.
4ci7 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		4 ILE A 308
HIS A 239
HIS A 262
TYR A 237
 None
 1.42A 5ocsA-4ci7A:
undetectable		 5ocsA-4ci7A:
19.84
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.
4d59 CELL SURFACE PROTEIN
(PUTATIVE CELL
SURFACE-ASSOCIATED
CYSTEINE PROTEASE)

(Clostridioides
difficile) 		PF00112
(Peptidase_C1) 		4 ILE A 308
HIS A 239
HIS A 262
TYR A 237
 None
 1.39A 5ocsA-4d59A:
undetectable		 5ocsA-4d59A:
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.
4hva CASPASE-6

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 CYH A 264
ILE A 270
HIS A 168
HIS A 219
 4HV  A 401 ( 3.1A)
None
4HV  A 401 (-4.5A)
4HV  A 401 ( 4.2A)
 1.47A 5ocsA-4hvaA:
undetectable		 5ocsA-4hvaA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C

(Streptococcus
mutans) 		no annotation 4 CYH A  98
ILE A 261
HIS A 254
HIS A 100
 None
 1.42A 5ocsA-4l9aA:
undetectable		 5ocsA-4l9aA:
22.39
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.
4nbq POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Coxiella
burnetii) 		PF00013
(KH_1)
PF00575
(S1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 CYH A 389
ILE A 434
HIS A 406
TYR A 383
 None
None
SO4  A 701 ( 4.9A)
None
 1.45A 5ocsA-4nbqA:
undetectable		 5ocsA-4nbqA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		4 CYH A 175
ILE A 213
HIS A 209
HIS A 178
 None
 1.25A 5ocsA-4px9A:
undetectable		 5ocsA-4px9A:
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.
4q88 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF07470
(Glyco_hydro_88) 		4 CYH A 353
ILE A 358
HIS A  45
TYR A  41
 None
 1.33A 5ocsA-4q88A:
undetectable		 5ocsA-4q88A:
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.
4u4e THIOLASE

(Sphaerobacter
thermophilus) 		PF02803
(Thiolase_C) 		4 CYH A 214
ILE A 338
HIS A 106
HIS A  86
 None
 1.05A 5ocsA-4u4eA:
undetectable		 5ocsA-4u4eA:
23.74
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		4 CYH A  97
ILE A 115
HIS A 286
HIS A 252
 CU  A 700 (-3.5A)
None
CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
 1.28A 5ocsA-4z11A:
undetectable		 5ocsA-4z11A:
20.45
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.
5caa NUCLEOSIDE
DIPHOSPHATE KINASE

(Leishmania
major) 		PF00334
(NDK) 		4 CYH A  74
ILE A  72
HIS A  50
HIS A 117
 None
 1.21A 5ocsA-5caaA:
undetectable		 5ocsA-5caaA:
17.69
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 CYH A  91
ILE A 107
HIS A 273
HIS A 239
 CU  A 402 (-3.5A)
None
CU  A 401 ( 3.2A)
CU  A 401 ( 3.2A)
 1.29A 5ocsA-5ce9A:
undetectable		 5ocsA-5ce9A:
19.41
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.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 CYH A 175
ILE A 213
HIS A 209
HIS A 178
 None
 1.27A 5ocsA-5e7jA:
undetectable		 5ocsA-5e7jA:
23.26
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.
5f1u 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00701
(DHDPS) 		4 CYH A 145
ILE A 147
HIS A 122
TYR A 123
 None
 1.09A 5ocsA-5f1uA:
10.6		 5ocsA-5f1uA:
21.37
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.
5f1u 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00701
(DHDPS) 		4 CYH A 145
ILE A 147
HIS A 122
TYR A 123
 None
 1.42A 5ocsA-5f1uA:
10.6		 5ocsA-5f1uA:
21.37
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.
5j1k TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 ILE A 158
HIS A 215
HIS A 248
TYR A 197
 None
 1.39A 5ocsA-5j1kA:
undetectable		 5ocsA-5j1kA:
20.27
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 ILE B 158
HIS B 215
HIS B 248
TYR B 197
 None
 1.41A 5ocsA-5j1lB:
undetectable		 5ocsA-5j1lB:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ocs PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE

(Cupriavidus
metallidurans) 		PF00724
(Oxidored_FMN) 		5 CYH A  25
ILE A  66
HIS A 178
HIS A 181
TYR A 183
 FMN  A 401 (-3.1A)
None
FMN  A 401 ( 3.7A)
ACT  A 402 ( 3.8A)
ACT  A 402 (-4.6A)
 0.00A 5ocsA-5ocsA:
70.3		 5ocsA-5ocsA:
100.00