SIMILAR PATTERNS OF AMINO ACIDS FOR 2W98_A_P1ZA1352

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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TYR A  93
TYR A 356
LEU A  43
ASN A  42
 None
 1.46A 2w98A-1cygA:
1.2
2w98B-1cygA:
undetectable		 2w98A-1cygA:
17.88
2w98B-1cygA:
17.88
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.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 TYR A 348
LEU A 534
LYS A 531
TYR A 385
 None
OAS  A 530 ( 3.3A)
OAS  A 530 (-3.0A)
None
 1.30A 2w98A-1ebvA:
undetectable
2w98B-1ebvA:
undetectable		 2w98A-1ebvA:
21.90
2w98B-1ebvA:
21.90
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TYR A  97
TYR A 360
LEU A  46
ASN A  45
 None
 1.33A 2w98A-1kclA:
0.0
2w98B-1kclA:
0.0		 2w98A-1kclA:
17.91
2w98B-1kclA:
17.91
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.
1yd6 UVRC

([Bacillus]
caldotenax) 		PF01541
(GIY-YIG) 		4 TYR A  89
TYR A  44
LEU A  93
TYR A  19
 None
 1.40A 2w98A-1yd6A:
undetectable
2w98B-1yd6A:
undetectable		 2w98A-1yd6A:
13.80
2w98B-1yd6A:
13.80
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT

(Methylococcus
capsulatus) 		PF02461
(AMO)
PF04744
(Monooxygenase_B) 		4 TYR B 188
TYR B 173
LEU A 180
ASN B 117
 None
 1.42A 2w98A-1yewB:
undetectable
2w98B-1yewB:
undetectable		 2w98A-1yewB:
21.72
2w98B-1yewB:
21.72
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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		4 TYR A 121
TYR A 190
LEU A 103
ASN A 105
 None
 1.19A 2w98A-2bfeA:
2.5
2w98B-2bfeA:
2.4		 2w98A-2bfeA:
22.76
2w98B-2bfeA:
22.76
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.
2i58 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		4 TYR A 185
LEU A 379
ASN A 380
LYS A 387
 None
 1.17A 2w98A-2i58A:
0.4
2w98B-2i58A:
undetectable		 2w98A-2i58A:
20.90
2w98B-2i58A:
20.90
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.
2qml BH2621 PROTEIN

(Bacillus
halodurans) 		PF13523
(Acetyltransf_8) 		4 TYR A  83
LEU A  64
ASN A  65
TYR A  56
 None
 1.47A 2w98A-2qmlA:
0.6
2w98B-2qmlA:
0.6		 2w98A-2qmlA:
19.78
2w98B-2qmlA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb3 PROSTAGLANDIN
REDUCTASE 2

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 TYR A  64
TYR A 100
LEU A 290
ASN A 291
 None
 0.64A 2w98A-2zb3A:
34.0
2w98B-2zb3A:
34.4		 2w98A-2zb3A:
85.07
2w98B-2zb3A:
85.07
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 TYR A 215
TYR A 125
LEU A 218
LYS A 449
 None
 1.41A 2w98A-3a24A:
undetectable
2w98B-3a24A:
undetectable		 2w98A-3a24A:
20.31
2w98B-3a24A:
20.31
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.
3ehc SNOAL-LIKE
POLYKETIDE CYCLASE

(Agrobacterium
fabrum) 		PF07366
(SnoaL) 		4 TYR A 103
LEU A  12
ASN A  16
TYR A  43
 None
 1.12A 2w98A-3ehcA:
undetectable
2w98B-3ehcA:
undetectable		 2w98A-3ehcA:
16.90
2w98B-3ehcA:
16.90
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.
3fdh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		4 TYR A 485
TYR A 507
ASN A 457
TYR A 487
 None
 1.20A 2w98A-3fdhA:
undetectable
2w98B-3fdhA:
undetectable		 2w98A-3fdhA:
21.58
2w98B-3fdhA:
21.58
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.
3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 28 KDA FORM

(Mus musculus) 		PF04916
(Phospholip_B) 		4 TYR A 146
LEU A 164
ASN A 167
TYR A 156
 ACT  A   1 (-4.0A)
None
None
ACT  A   1 ( 4.7A)
 1.46A 2w98A-3fgtA:
undetectable
2w98B-3fgtA:
undetectable		 2w98A-3fgtA:
18.16
2w98B-3fgtA:
18.16
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 TYR B 240
TYR B 529
ASN B 250
TYR B 317
 None
 1.12A 2w98A-3hkzB:
undetectable
2w98B-3hkzB:
undetectable		 2w98A-3hkzB:
16.18
2w98B-3hkzB:
16.18
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.
3j0r PROTEIN MXIH

(Shigella
flexneri) 		PF09392
(T3SS_needle_F) 		4 TYR A  60
LEU A  54
ASN A  62
LYS A  69
 None
 1.43A 2w98A-3j0rA:
undetectable
2w98B-3j0rA:
undetectable		 2w98A-3j0rA:
11.24
2w98B-3j0rA:
11.24
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.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 TYR A 259
LEU A 299
ASN A 300
LYS A 302
 None
None
MLY  A 301 ( 3.4A)
MLY  A 301 ( 2.8A)
 1.45A 2w98A-3ln3A:
1.3
2w98B-3ln3A:
undetectable		 2w98A-3ln3A:
23.18
2w98B-3ln3A:
23.18
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.
3n7z ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 TYR A  25
LEU A  22
LYS A  61
TYR A  29
 None
 1.36A 2w98A-3n7zA:
undetectable
2w98B-3n7zA:
undetectable		 2w98A-3n7zA:
21.91
2w98B-3n7zA:
21.91
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 LEU B 221
LYS B 753
TYR B 822
LYS B 911
 None
 1.31A 2w98A-3prxB:
undetectable
2w98B-3prxB:
undetectable		 2w98A-3prxB:
13.01
2w98B-3prxB:
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.
4bj1 PROTEIN RIF2

(Saccharomyces
cerevisiae) 		no annotation 4 TYR A 345
LEU A 317
ASN A 318
TYR A 309
 None
 1.12A 2w98A-4bj1A:
undetectable
2w98B-4bj1A:
undetectable		 2w98A-4bj1A:
20.82
2w98B-4bj1A:
20.82
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.
4bj6 RAP1-INTERACTING
FACTOR 2

(Saccharomyces
cerevisiae) 		no annotation 4 TYR A 345
LEU A 317
ASN A 318
TYR A 309
 None
 1.17A 2w98A-4bj6A:
undetectable
2w98B-4bj6A:
undetectable		 2w98A-4bj6A:
21.75
2w98B-4bj6A:
21.75
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TYR A  97
TYR A 360
LEU A  46
ASN A  45
 None
 1.39A 2w98A-4cgtA:
1.2
2w98B-4cgtA:
1.5		 2w98A-4cgtA:
18.30
2w98B-4cgtA:
18.30
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.
4fzd SERINE/THREONINE-PRO
TEIN KINASE MST4

(Homo sapiens) 		PF00069
(Pkinase) 		4 TYR B 101
LEU B 102
LYS B 159
TYR B  86
 GOL  B1000 (-4.0A)
GOL  B1000 (-4.7A)
None
None
 1.42A 2w98A-4fzdB:
undetectable
2w98B-4fzdB:
undetectable		 2w98A-4fzdB:
21.98
2w98B-4fzdB:
21.98
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 TYR A 127
LEU A  28
ASN A  29
TYR A 180
 SAH  A 502 (-4.9A)
OPE  A 501 ( 4.1A)
None
OPE  A 501 (-4.5A)
 1.37A 2w98A-4krgA:
6.9
2w98B-4krgA:
6.8		 2w98A-4krgA:
22.29
2w98B-4krgA:
22.29
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.
4lut ALANINE RACEMASE

(Clostridioides
difficile) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 TYR A 229
TYR A 370
LEU A  17
ASN A  20
 None
 1.47A 2w98A-4lutA:
2.2
2w98B-4lutA:
2.1		 2w98A-4lutA:
22.71
2w98B-4lutA:
22.71
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		4 LEU A 479
ASN A 478
TYR A 459
LYS A 381
 None
 1.45A 2w98A-4n49A:
6.7
2w98B-4n49A:
2.5		 2w98A-4n49A:
20.81
2w98B-4n49A:
20.81
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.
4ony EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 5

(Brucella
melitensis) 		PF00496
(SBP_bac_5) 		4 TYR A  84
TYR A 229
LEU A  58
ASN A  59
 None
 1.29A 2w98A-4onyA:
undetectable
2w98B-4onyA:
undetectable		 2w98A-4onyA:
19.37
2w98B-4onyA:
19.37
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		4 TYR A 168
TYR A 226
ASN A 339
LYS A  54
 2WS  A 601 (-4.0A)
2WS  A 601 (-4.9A)
2WS  A 601 (-2.8A)
None
 1.26A 2w98A-4pviA:
undetectable
2w98B-4pviA:
undetectable		 2w98A-4pviA:
19.74
2w98B-4pviA:
19.74
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.
4red 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		4 TYR A 238
TYR A 234
LEU A 239
ASN A 240
 None
 1.47A 2w98A-4redA:
undetectable
2w98B-4redA:
undetectable		 2w98A-4redA:
19.59
2w98B-4redA:
19.59
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 282
ASN A 760
TYR A 683
LYS A 650
 None
 1.42A 2w98A-4wjlA:
undetectable
2w98B-4wjlA:
undetectable		 2w98A-4wjlA:
20.03
2w98B-4wjlA:
20.03
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA
PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase)
PF01008
(IF-2B) 		4 TYR I 293
TYR I 314
LEU C 330
ASN C 352
 None
 1.13A 2w98A-5b04I:
undetectable
2w98B-5b04I:
2.5		 2w98A-5b04I:
19.91
2w98B-5b04I:
19.91
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.
5cfa BONE
SIALOPROTEIN-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		4 LEU A  89
ASN A  90
LYS A  92
TYR A 237
 None
 1.09A 2w98A-5cfaA:
undetectable
2w98B-5cfaA:
undetectable		 2w98A-5cfaA:
18.67
2w98B-5cfaA:
18.67
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.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 4 TYR A 288
LEU A 486
ASN A 490
LYS A 488
 None
 1.47A 2w98A-5oglA:
2.3
2w98B-5oglA:
2.2		 2w98A-5oglA:
20.11
2w98B-5oglA:
20.11
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		4 TYR A 259
LEU A 234
ASN A 232
TYR A 227
 None
 1.42A 2w98A-5uq6A:
undetectable
2w98B-5uq6A:
1.5		 2w98A-5uq6A:
20.54
2w98B-5uq6A:
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.
5vl1 LYSINE--TRNA LIGASE

(Mycobacterium
ulcerans) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 TYR A 410
LEU A 377
ASN A 375
TYR A 311
 None
 1.39A 2w98A-5vl1A:
undetectable
2w98B-5vl1A:
undetectable		 2w98A-5vl1A:
20.59
2w98B-5vl1A:
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.
5vrv PROTEIN REGULATED BY
ACID PH

(Agrobacterium
fabrum) 		PF09924
(DUF2156) 		4 TYR A 816
LEU A 710
TYR A 620
LYS A 565
 None
 1.36A 2w98A-5vrvA:
undetectable
2w98B-5vrvA:
undetectable		 2w98A-5vrvA:
21.78
2w98B-5vrvA:
21.78
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.
5yhi PROTEIN YIIM

(Escherichia
coli) 		no annotation 4 TYR A  60
LEU A 123
ASN A 124
TYR A  65
 None
 1.42A 2w98A-5yhiA:
undetectable
2w98B-5yhiA:
undetectable		 2w98A-5yhiA:
12.78
2w98B-5yhiA:
12.78
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.
6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG

(Escherichia
coli;
Pseudomonas
phage JBD30) 		no annotation 4 TYR A  55
LEU A   7
ASN A  16
LYS A   5
 None
 1.44A 2w98A-6anvA:
undetectable
2w98B-6anvA:
undetectable		 2w98A-6anvA:
20.52
2w98B-6anvA:
20.52
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 TYR A 262
TYR A  60
LEU A 263
TYR A 255
 None
 1.40A 2w98A-6dd3A:
2.6
2w98B-6dd3A:
2.5		 2w98A-6dd3A:
12.38
2w98B-6dd3A:
12.38
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.
6fdg 4-HYDROXYBENZOYL-COA
THIOESTERASE

(Staphylococcus
aureus) 		no annotation 4 TYR A  45
TYR A  90
LEU A  35
TYR A 133
 None
 1.44A 2w98A-6fdgA:
undetectable
2w98B-6fdgA:
undetectable		 2w98A-6fdgA:
15.05
2w98B-6fdgA:
15.05