SIMILAR PATTERNS OF AMINO ACIDS FOR 5WM7_A_ACTA603_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.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 THR A 132
THR A 135
ALA A 138
ARG A  90
 None
None
None
RIP  A 272 ( 3.9A)
 1.35A 5wm7A-1drkA:
5.0		 5wm7A-1drkA:
19.10
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 THR A 493
THR A 496
ALA A 495
ARG A 531
 None
 1.30A 5wm7A-1f4hA:
3.4		 5wm7A-1f4hA:
20.95
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		4 THR A 162
THR A 190
ALA A 191
ARG A 202
 None
 1.05A 5wm7A-1w8oA:
0.0		 5wm7A-1w8oA:
22.85
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.
1wk1 HYPOTHETICAL PROTEIN
YK1067A12

(Caenorhabditis
elegans) 		PF00059
(Lectin_C) 		4 THR A 118
THR A 121
ALA A 120
ARG A 123
 None
 1.49A 5wm7A-1wk1A:
undetectable		 5wm7A-1wk1A:
13.01
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.
2ia2 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		4 THR A  49
THR A  52
ALA A  53
ARG A  22
 None
 1.47A 5wm7A-2ia2A:
undetectable		 5wm7A-2ia2A:
19.18
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.
2riu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Candida
albicans) 		PF00926
(DHBP_synthase) 		4 THR A 146
THR A  85
ALA A  86
ARG A 142
 5RP  A 701 (-3.5A)
5RP  A 701 (-3.1A)
None
5RP  A 701 (-3.2A)
 1.50A 5wm7A-2riuA:
0.0		 5wm7A-2riuA:
17.17
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 THR A  91
THR A 136
ALA A 106
ARG A 107
 None
 1.47A 5wm7A-2ycbA:
2.1		 5wm7A-2ycbA:
21.11
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.
3bpq ANTITOXIN RELB3
TOXIN RELE3

(Methanocaldococcus
jannaschii;
Methanocaldococcus
jannaschii) 		no annotation
PF05016
(ParE_toxin) 		4 THR A  35
THR B   8
ALA B   6
ARG B  76
 None
 1.28A 5wm7A-3bpqA:
undetectable		 5wm7A-3bpqA:
6.97
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		4 THR A 314
THR A 318
ALA A 317
ARG A 354
 None
 1.29A 5wm7A-3e1sA:
0.8		 5wm7A-3e1sA:
24.89
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.
3kos HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR AMPR

(Citrobacter
freundii) 		PF03466
(LysR_substrate) 		4 THR A 155
THR A 267
ALA A 157
ARG A 146
 None
 1.23A 5wm7A-3kosA:
undetectable		 5wm7A-3kosA:
16.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 THR A 253
THR A 255
ALA A 256
ARG A 502
 None
 1.28A 5wm7A-3vnsA:
41.6		 5wm7A-3vnsA:
35.73
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 THR A 545
THR A 655
ALA A 656
ARG A 585
 None
 1.47A 5wm7A-3wfaA:
2.1		 5wm7A-3wfaA:
20.40
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		4 THR A 114
THR A 141
ALA A 138
ARG A 359
 None
 1.11A 5wm7A-4kv7A:
undetectable		 5wm7A-4kv7A:
22.57
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.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		4 THR A 275
THR A  42
ALA A  40
ARG A  39
 None
 1.00A 5wm7A-4y5rA:
undetectable		 5wm7A-4y5rA:
22.40
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.
4yh7 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		PF00041
(fn3)
PF07679
(I-set)
PF13927
(Ig_3) 		4 THR A  34
THR A  55
ALA A  54
ARG A  32
 None
 1.35A 5wm7A-4yh7A:
undetectable		 5wm7A-4yh7A:
21.06
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.
5oei UNCHARACTERIZED
PROTEIN FAMILY
UPF0065:TAT PATHWAY
SIGNAL

(Rhodopseudomonas
palustris) 		no annotation 4 THR A 174
THR A 259
ALA A 260
ARG A 321
 OOG  A 401 (-3.1A)
None
None
GOL  A 407 (-4.4A)
 1.50A 5wm7A-5oeiA:
3.3		 5wm7A-5oeiA:
23.89
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.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 4 THR A 245
THR A 295
ALA A 296
ARG A 322
 ACT  A 604 (-3.0A)
ACT  A 604 (-3.6A)
ACT  A 604 ( 3.8A)
ACT  A 604 (-3.9A)
 0.10A 5wm7A-5wm4A:
71.5		 5wm7A-5wm4A:
undetectable