SIMILAR PATTERNS OF AMINO ACIDS FOR 4M7T_A_SAMA503

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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 TYR A 192
HIS A  92
HIS A 151
LEU A 160
LEU A 164
 None
 1.25A 4m7tA-1amyA:
2.8		 4m7tA-1amyA:
21.20
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.
1fhf SEED COAT PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		5 TYR A 200
HIS A 169
TYR A 232
THR A 218
LEU A 196
 None
HEM  A 350 (-3.5A)
None
None
None
 1.34A 4m7tA-1fhfA:
0.0		 4m7tA-1fhfA:
21.04
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.
1k5d RAN-SPECIFIC
GTPASE-ACTIVATING
PROTEIN

(Homo sapiens) 		PF00638
(Ran_BP1) 		5 THR B 124
HIS B 102
LEU B 138
LEU B  55
ARG B  70
 THR  B 124 ( 0.8A)
HIS  B 102 ( 1.0A)
LEU  B 138 ( 0.6A)
LEU  B  55 ( 0.6A)
ARG  B  70 ( 0.6A)
 1.46A 4m7tA-1k5dB:
undetectable		 4m7tA-1k5dB:
22.06
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.
2dc1 L-ASPARTATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		5 THR A 132
HIS A 189
LEU A 130
LEU A 167
SER A 168
 None
CIT  A1585 (-4.2A)
None
None
None
 1.31A 4m7tA-2dc1A:
0.9		 4m7tA-2dc1A:
21.69
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.
2e80 CYTOCHROME C-552

(Wolinella
succinogenes) 		PF02335
(Cytochrom_C552) 		5 TYR A  96
GLU A 217
LEU A  83
LEU A  77
SER A  93
 HEM  A1508 (-4.6A)
CA  A 513 (-2.2A)
None
None
None
 1.41A 4m7tA-2e80A:
undetectable		 4m7tA-2e80A:
18.72
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 TYR A 193
HIS A  93
HIS A 152
LEU A 161
LEU A 165
 None
 1.33A 4m7tA-2qpsA:
2.3		 4m7tA-2qpsA:
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.
2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS

(Fasciola
hepatica) 		PF14497
(GST_C_3) 		5 GLU A 179
THR A 168
HIS A 189
LEU A 199
SER A 200
 None
BR  A1215 ( 3.3A)
None
None
None
 0.97A 4m7tA-2wduA:
undetectable		 4m7tA-2wduA:
20.80
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.
3bni PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 TYR A 150
TYR A  80
THR A 102
LEU A 151
SER A 148
 None
 1.34A 4m7tA-3bniA:
undetectable		 4m7tA-3bniA:
23.13
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.
3hij DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
anthracis) 		PF00701
(DHDPS) 		5 HIS A 210
THR A  26
LEU A  61
LEU A  53
SER A  50
 None
 1.03A 4m7tA-3hijA:
2.9		 4m7tA-3hijA:
19.94
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		5 TYR A 150
TYR A 114
HIS A 106
LEU A 148
LEU A 385
 None
ACT  A 961 ( 4.4A)
None
None
None
 1.15A 4m7tA-3k8kA:
3.2		 4m7tA-3k8kA:
16.77
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.
3kzx HAD-SUPERFAMILY
HYDROLASE, SUBFAMILY
IA, VARIANT 1

(Ehrlichia
chaffeensis) 		PF13419
(HAD_2) 		5 TYR A  36
TYR A  28
TYR A  68
LEU A  57
LEU A  56
 None
 1.40A 4m7tA-3kzxA:
undetectable		 4m7tA-3kzxA:
22.50
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 HIS A 379
GLU A 445
TYR A 377
THR A 375
SER A 192
 None
None
None
None
FAD  A 501 (-4.0A)
 1.46A 4m7tA-3rj8A:
undetectable		 4m7tA-3rj8A:
19.21
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.
3teh PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		5 TYR A 297
TYR A 307
LEU A 165
LEU A 301
ARG A 298
 None
 1.48A 4m7tA-3tehA:
undetectable		 4m7tA-3tehA:
18.36
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.
3w3s TYPE-2 SERINE--TRNA
LIGASE

(Methanopyrus
kandleri) 		PF00587
(tRNA-synt_2b) 		5 THR A  25
LEU A  88
LEU A  13
SER A  14
ARG A  15
 None
None
None
C  B  56 ( 3.5A)
None
 1.45A 4m7tA-3w3sA:
undetectable		 4m7tA-3w3sA:
15.97
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 TYR A 216
HIS A 117
HIS A 175
LEU A 184
LEU A 188
 None
 1.32A 4m7tA-3wn6A:
2.7		 4m7tA-3wn6A:
22.30
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.
4gqa NAD BINDING
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 TYR A  23
THR A  81
HIS A  19
LEU A   9
LEU A  39
 None
 1.37A 4m7tA-4gqaA:
undetectable		 4m7tA-4gqaA:
20.88
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.
4iqn PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF16728
(DUF5066) 		5 TYR C 166
GLU C 145
TYR C 168
LEU C  62
SER C  64
 None
 1.48A 4m7tA-4iqnC:
undetectable		 4m7tA-4iqnC:
21.68
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.
4m6w FANCONI
ANEMIA-ASSOCIATED
PROTEIN OF 24 KDA

(Homo sapiens) 		PF12826
(HHH_2) 		5 TYR B  72
TYR B  60
THR B 108
LEU B 104
LEU B  66
 None
 1.47A 4m7tA-4m6wB:
undetectable		 4m7tA-4m6wB:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7s BTRN

(Bacillus
circulans) 		PF13186
(SPASM) 		6 TYR A  22
TYR A  62
GLU A  64
TYR A  90
THR A 115
HIS A 117
 None
None
None
None
None
SF4  A 502 (-3.8A)
 0.72A 4m7tA-4m7sA:
31.3		 4m7tA-4m7sA:
92.59
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.
4mhb PUTATIVE ALDO/KETO
REDUCTASE

(Yersinia pestis) 		PF00248
(Aldo_ket_red) 		5 TYR A 124
GLU A 173
HIS A 281
LEU A 290
LEU A  91
 None
 1.43A 4m7tA-4mhbA:
2.3		 4m7tA-4mhbA:
19.81
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.
5ax7 PYRUVYL TRANSFERASE
1

(Schizosaccharomyces
pombe) 		PF04230
(PS_pyruv_trans) 		5 HIS A 366
TYR A 365
GLU A 355
THR A 335
LEU A 343
 None
 1.34A 4m7tA-5ax7A:
undetectable		 4m7tA-5ax7A:
20.54
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.
5civ SIBLING BACTERIOCIN

(Paenibacillus
dendritiformis) 		PF08020
(DUF1706) 		5 TYR A 107
TYR A  31
THR A 122
LEU A 118
LEU A 110
 None
 1.30A 4m7tA-5civA:
undetectable		 4m7tA-5civA:
23.16
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.
5fyd OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Collinsella
aerofaciens) 		PF00106
(adh_short) 		5 HIS A  95
THR A 188
LEU A 194
LEU A 198
SER A 196
 None
 1.43A 4m7tA-5fydA:
2.3		 4m7tA-5fydA:
21.40
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.
5hk8 PROBABLE
PHEOPHORBIDASE

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 THR A  41
HIS A  12
LEU A  71
LEU A  72
SER A  73
 None
 1.35A 4m7tA-5hk8A:
1.9		 4m7tA-5hk8A:
25.32
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.
5ij6 LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 TYR A 287
GLU A 259
TYR A 284
LEU A 281
LEU A 300
 None
 1.41A 4m7tA-5ij6A:
undetectable		 4m7tA-5ij6A:
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.
5xjg VACUOLAR PROTEIN 8

(Saccharomyces
cerevisiae) 		PF00514
(Arm) 		5 TYR A  78
THR A  75
LEU A 112
LEU A  87
SER A  83
 None
 1.36A 4m7tA-5xjgA:
undetectable		 4m7tA-5xjgA:
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.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 5 TYR A 158
GLU A  78
HIS A  85
LEU A 154
SER A 153
 None
 1.48A 4m7tA-5zb8A:
undetectable		 4m7tA-5zb8A:
undetectable