SIMILAR PATTERNS OF AMINO ACIDS FOR 5VKQ_B_PCFB1801

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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 TRP A 404
THR A 573
ASN A 575
LEU A 469
 None
 1.44A 5vkqB-1mpxA:
0.0
5vkqC-1mpxA:
0.0		 5vkqB-1mpxA:
16.87
5vkqC-1mpxA:
16.87
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE
SUBUNIT C2

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF02461
(AMO)
PF04896
(AmoC) 		4 THR B 112
ASN B 107
TRP C 159
LEU C  78
 None
 1.34A 5vkqB-1yewB:
1.6
5vkqC-1yewB:
1.5		 5vkqB-1yewB:
9.15
5vkqC-1yewB:
9.15
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.
2cda GLUCOSE
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		4 TRP A 365
THR A  33
TRP A 128
LEU A 135
 None
 1.27A 5vkqB-2cdaA:
0.9
5vkqC-2cdaA:
0.9		 5vkqB-2cdaA:
11.97
5vkqC-2cdaA:
11.97
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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 382
ASN A 381
TRP A 498
LEU A 502
 None
 1.41A 5vkqB-2e6kA:
0.0
5vkqC-2e6kA:
0.0		 5vkqB-2e6kA:
17.56
5vkqC-2e6kA:
17.56
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 THR A 418
ASN A 712
TRP A 710
LEU A 410
 None
 1.43A 5vkqB-2nq5A:
1.4
5vkqC-2nq5A:
1.3		 5vkqB-2nq5A:
18.69
5vkqC-2nq5A:
18.69
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 TRP A 295
THR A 292
ASN A 288
LEU A 280
 None
 1.49A 5vkqB-2vbiA:
0.0
5vkqC-2vbiA:
0.0		 5vkqB-2vbiA:
15.61
5vkqC-2vbiA:
15.61
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		4 THR A 694
ASN A 714
TRP A 717
LEU A 648
 None
 1.43A 5vkqB-2vsaA:
undetectable
5vkqC-2vsaA:
undetectable		 5vkqB-2vsaA:
18.85
5vkqC-2vsaA:
18.85
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.
3o3x GP41-5

(synthetic
construct) 		no annotation 4 THR A  54
ASN A  51
TRP A  26
LEU A  23
 None
None
None
MPD  A 199 (-3.6A)
 1.21A 5vkqB-3o3xA:
3.6
5vkqC-3o3xA:
3.6		 5vkqB-3o3xA:
8.30
5vkqC-3o3xA:
8.30
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 THR B 606
ASN B 638
TRP B 593
LEU B 569
 None
 1.41A 5vkqB-4f92B:
1.7
5vkqC-4f92B:
1.8		 5vkqB-4f92B:
23.49
5vkqC-4f92B:
23.49
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 THR A 611
ASN A 610
TRP A 630
LEU A 654
 None
 1.48A 5vkqB-4i3gA:
0.0
5vkqC-4i3gA:
0.0		 5vkqB-4i3gA:
20.48
5vkqC-4i3gA:
20.48
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.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		4 TRP A 235
ASN A 246
TRP A 104
LEU A 227
 None
 1.35A 5vkqB-4inzA:
undetectable
5vkqC-4inzA:
undetectable		 5vkqB-4inzA:
9.97
5vkqC-4inzA:
9.97
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 THR A  64
ASN A  62
TRP A  55
LEU A  22
 None
 1.37A 5vkqB-4o6xA:
undetectable
5vkqC-4o6xA:
undetectable		 5vkqB-4o6xA:
5.44
5vkqC-4o6xA:
5.44
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.
5a5c LRRTM

(synthetic
construct) 		PF13855
(LRR_8) 		4 TRP A 207
THR A 230
ASN A 255
LEU A 237
 None
 1.45A 5vkqB-5a5cA:
undetectable
5vkqC-5a5cA:
undetectable		 5vkqB-5a5cA:
12.51
5vkqC-5a5cA:
12.51
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.
5a8v POLYHEDRIN

(Cypovirus 5) 		no annotation 4 THR A  33
ASN A  31
TRP A  48
LEU A  58
 None
 1.35A 5vkqB-5a8vA:
undetectable
5vkqC-5a8vA:
undetectable		 5vkqB-5a8vA:
9.41
5vkqC-5a8vA:
9.41
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		4 TRP A 182
THR A 180
ASN A 146
LEU A 219
 None
 1.45A 5vkqB-5lh9A:
0.0
5vkqC-5lh9A:
0.2		 5vkqB-5lh9A:
14.54
5vkqC-5lh9A:
14.54
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.
5nyy NON-SPECIFIC
SERINE/THREONINE
PROTEIN KINASE

(Thermomonospora
curvata) 		PF03781
(FGE-sulfatase) 		4 TRP A 230
THR A 262
ASN A 285
TRP A 235
 None
None
MRD  A 403 (-3.5A)
None
 1.49A 5vkqB-5nyyA:
undetectable
5vkqC-5nyyA:
undetectable		 5vkqB-5nyyA:
10.55
5vkqC-5nyyA:
10.55
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.
6d95 -

(-) 		no annotation 4 THR A 472
ASN A 760
TRP A 761
LEU A 752
 None
 1.35A 5vkqB-6d95A:
0.9
5vkqC-6d95A:
undetectable		 5vkqB-6d95A:
undetectable
5vkqC-6d95A:
undetectable