SIMILAR PATTERNS OF AMINO ACIDS FOR 1PBF_A_BHAA396_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.
1a99 PUTRESCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 TRP A  37
LEU A 348
SER A  87
ARG A  91
ALA A 182
 PUT  A 371 (-3.7A)
None
None
None
None
 1.46A 1pbfA-1a99A:
0.0		 1pbfA-1a99A:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		6 TRP A 185
LEU A 199
TYR A 201
SER A 212
ARG A 214
ARG A 220
 None
None
PHB  A 396 ( 4.6A)
PHB  A 396 ( 2.7A)
PHB  A 396 ( 3.0A)
None
 0.71A 1pbfA-1cj2A:
67.3		 1pbfA-1cj2A:
99.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		8 VAL A  47
TRP A 185
LEU A 199
TYR A 201
LEU A 210
SER A 212
ARG A 214
ALA A 296
 FAD  A 395 (-4.1A)
None
None
PHB  A 396 ( 4.6A)
None
PHB  A 396 ( 2.7A)
PHB  A 396 ( 3.0A)
FAD  A 395 (-3.6A)
 0.33A 1pbfA-1cj2A:
67.3		 1pbfA-1cj2A:
99.49
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.
1gm5 RECG

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge) 		5 VAL A 221
TRP A 203
LEU A 216
TYR A 212
LEU A 213
 None
 1.03A 1pbfA-1gm5A:
0.6		 1pbfA-1gm5A:
21.35
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.
1kjv MATURE ALPHA CHAIN
OF MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I
ANTIGEN (HEAVY
CHAIN)

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 TRP A  51
LEU A   5
SER A 167
ARG A  62
ALA A  34
 None
 1.35A 1pbfA-1kjvA:
undetectable		 1pbfA-1kjvA:
23.47
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 VAL A 455
LEU A 488
LEU A 492
ARG A 495
ALA A 458
 None
 1.22A 1pbfA-1mdfA:
0.0		 1pbfA-1mdfA:
22.48
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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 VAL N 302
LEU N 355
LEU N 362
SER N 353
ARG N 300
 None
 1.38A 1pbfA-1nmbN:
0.0		 1pbfA-1nmbN:
18.79
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 VAL A 666
LEU A 696
LEU A 700
ARG A 703
ALA A 621
 None
 1.40A 1pbfA-2ecfA:
0.0		 1pbfA-2ecfA:
22.10
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.
2f6r BIFUNCTIONAL
COENZYME A SYNTHASE

(Mus musculus) 		PF01121
(CoaE) 		5 VAL A 149
LEU A 145
LEU A 131
ARG A 128
ALA A 107
 None
ACO  A 270 ( 4.6A)
ACO  A 270 ( 4.3A)
ACO  A 270 (-4.3A)
None
 1.43A 1pbfA-2f6rA:
0.0		 1pbfA-2f6rA:
20.38
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.
2ro1 TRANSCRIPTION
INTERMEDIARY FACTOR
1-BETA

(Homo sapiens) 		PF00628
(PHD) 		5 VAL A 765
LEU A 708
LEU A 747
ARG A 746
ALA A 762
 None
 1.13A 1pbfA-2ro1A:
undetectable		 1pbfA-2ro1A:
23.02
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 VAL A  34
LEU A 138
LEU A 257
ARG A 261
ALA A  31
 None
 1.30A 1pbfA-2yr0A:
2.4		 1pbfA-2yr0A:
21.36
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2

(Gallus gallus;
Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 VAL A 366
LEU A 392
LEU A   8
ARG A 362
ALA B  44
 None
 1.45A 1pbfA-3h1lA:
undetectable		 1pbfA-3h1lA:
22.68
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.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 VAL A 283
TRP A 262
LEU A 274
LEU A 291
ALA A 183
 None
 1.41A 1pbfA-3p2mA:
undetectable		 1pbfA-3p2mA:
23.63
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.
3s6d PUTATIVE
TRIOSEPHOSPHATE
ISOMERASE

(Coccidioides
immitis) 		PF00121
(TIM) 		5 VAL A 277
LEU A  38
TYR A  34
LEU A  58
ALA A 271
 None
 1.36A 1pbfA-3s6dA:
undetectable		 1pbfA-3s6dA:
22.64
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.
4l8t UNCONVENTIONAL
MYOSIN-VC

(Homo sapiens) 		PF01843
(DIL) 		5 VAL A1691
TRP A1639
LEU A1670
LEU A1640
ALA A1651
 None
 1.08A 1pbfA-4l8tA:
undetectable		 1pbfA-4l8tA:
20.64
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.
4q2h PROLINE RACEMASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF05544
(Pro_racemase) 		5 VAL A  26
LEU A  50
LEU A  54
ARG A   5
ALA A  22
 None
 1.39A 1pbfA-4q2hA:
0.1		 1pbfA-4q2hA:
21.63
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 VAL A 120
TRP A 219
LEU A  60
ARG A 209
ALA A 124
 None
 1.48A 1pbfA-5b5rA:
undetectable		 1pbfA-5b5rA:
21.86
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 VAL A 669
LEU A 700
LEU A 704
ARG A 707
ALA A 624
 None
 1.40A 1pbfA-5yp3A:
undetectable		 1pbfA-5yp3A:
undetectable
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 VAL A  47
LEU A 199
TYR A 201
SER A 212
ARG A 220
 None
 0.76A 1pbfA-6dllA:
64.1		 1pbfA-6dllA:
undetectable
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 7 VAL A  47
TRP A 185
LEU A 199
TYR A 201
LEU A 210
SER A 212
ALA A 296
 None
None
None
None
None
None
FAD  A 401 ( 4.7A)
 0.43A 1pbfA-6dllA:
64.1		 1pbfA-6dllA:
undetectable