SIMILAR PATTERNS OF AMINO ACIDS FOR 4JQ4_B_IMNB401_1

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.
1f15 COAT PROTEIN

(Cucumber mosaic
virus) 		PF00760
(Cucumo_coat) 		5 HIS A 202
VAL A 185
ASN A 112
LEU A 114
LEU A 199
 None
 1.45A 4jq4B-1f15A:
undetectable		 4jq4B-1f15A:
21.13
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.
1f15 COAT PROTEIN

(Cucumber mosaic
virus) 		PF00760
(Cucumo_coat) 		5 TYR A  86
VAL A 123
ILE A 109
LEU A  91
LEU A  90
 None
 1.21A 4jq4B-1f15A:
undetectable		 4jq4B-1f15A:
21.13
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 TYR A 331
VAL A 245
ILE A 212
ASN A 255
LEU A 230
 None
 1.34A 4jq4B-1pe9A:
undetectable		 4jq4B-1pe9A:
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 TYR A 331
VAL A 245
ILE A 212
ASN A 285
LEU A 230
 None
 1.08A 4jq4B-1pe9A:
undetectable		 4jq4B-1pe9A:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TYR A  55
HIS A 117
ILE A 129
ASN A 167
TYR A 216
 None
NDP  A1003 (-4.9A)
NDP  A1003 (-4.3A)
None
NDP  A1003 (-3.4A)
NDP  A1003 (-3.2A)
 0.50A 4jq4B-1q5mA:
51.4		 4jq4B-1q5mA:
78.88
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 HIS A 747
VAL A 699
ILE A 695
ASN A 939
LEU A 947
 None
 1.33A 4jq4B-1sojA:
undetectable		 4jq4B-1sojA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		5 TYR A  60
HIS A 121
ASN A 167
TYR A 214
LEU A 295
 BCT  A1322 ( 4.4A)
BCT  A1322 ( 3.9A)
NDP  A1321 (-3.3A)
NDP  A1321 (-3.3A)
NDP  A1321 (-4.8A)
 0.68A 4jq4B-2bgsA:
39.8		 4jq4B-2bgsA:
32.97
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.
2co9 THYMUS HIGH MOBILITY
GROUP BOX PROTEIN
TOX

(Mus musculus) 		PF00505
(HMG_box) 		5 TYR A  25
VAL A  48
ILE A  51
TYR A  67
LEU A  59
 None
 1.49A 4jq4B-2co9A:
undetectable		 4jq4B-2co9A:
15.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		6 TYR A  55
HIS A 117
VAL A 128
ASN A 167
TRP A 227
LEU A 308
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.1A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 0.86A 4jq4B-2ipjA:
54.1		 4jq4B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 TYR A  55
HIS A 117
VAL A 128
ILE A 129
ASN A 167
TYR A 216
LEU A 306
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
None
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
FFA  A 325 (-4.8A)
 0.45A 4jq4B-2ipjA:
54.1		 4jq4B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 TYR A  55
HIS A 117
VAL A 128
ILE A 129
ASN A 167
TYR A 216
TRP A 227
 FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
None
NAP  A   1 (-3.1A)
NAP  A   1 (-3.2A)
FFA  A 325 (-3.8A)
 0.43A 4jq4B-2ipjA:
54.1		 4jq4B-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 TYR A  48
HIS A 110
ASN A 160
TYR A 209
LEU A 300
 2CL  A 317 ( 4.5A)
2CL  A 317 ( 3.8A)
NAP  A 316 (-3.4A)
NAP  A 316 (-3.2A)
None
 0.57A 4jq4B-2is7A:
46.2		 4jq4B-2is7A:
49.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TYR A  48
HIS A 110
ASN A 155
TYR A 202
 ACT  A 501 ( 4.0A)
ACT  A 501 ( 4.3A)
ACT  A 501 ( 4.0A)
NAP  A 401 (-3.4A)
NAP  A 401 (-3.1A)
 0.26A 4jq4B-3h7rA:
40.9		 4jq4B-3h7rA:
37.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 TYR A  52
HIS A 114
ILE A 119
ASN A 159
TYR A 206
 ACT  A 501 ( 4.4A)
ACT  A 501 ( 3.8A)
None
NAP  A 401 (-3.3A)
NAP  A 401 (-3.2A)
 1.12A 4jq4B-3h7uA:
41.2		 4jq4B-3h7uA:
40.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 TYR A  52
HIS A 114
ILE A 126
ASN A 159
TYR A 206
 ACT  A 501 ( 4.4A)
ACT  A 501 ( 3.8A)
None
NAP  A 401 (-3.3A)
NAP  A 401 (-3.2A)
 0.68A 4jq4B-3h7uA:
41.2		 4jq4B-3h7uA:
40.78
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.
3k2q PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Marinobacter
hydrocarbonoclasticus) 		PF00365
(PFK) 		5 ILE A 348
ASN A 145
TYR A 382
TRP A 346
LEU A 386
 None
 1.32A 4jq4B-3k2qA:
undetectable		 4jq4B-3k2qA:
21.59
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.
3lah METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Caldanaerobacter
subterraneus) 		PF07700
(HNOB) 		5 TYR A 140
VAL A  48
ILE A  51
LEU A  16
LEU A  13
 IMD  A 501 (-4.4A)
None
None
None
None
 1.44A 4jq4B-3lahA:
undetectable		 4jq4B-3lahA:
20.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TYR A  55
HIS A 117
ASN A 167
TYR A 216
LEU A 306
 MLY  A  25 (-3.6A)
NAD  A 327 ( 4.7A)
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.3A)
NAD  A 327 (-3.4A)
MRD  A 328 ( 4.3A)
 0.45A 4jq4B-3ln3A:
49.6		 4jq4B-3ln3A:
66.25
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.
3n2t PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 TYR A  59
HIS A 130
VAL A  99
ASN A 161
TYR A 208
 None
 0.73A 4jq4B-3n2tA:
26.7		 4jq4B-3n2tA:
26.54
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A 391
ILE A 392
ASN A 342
TYR A 327
LEU A 336
 None
None
None
None
EDO  A1398 (-4.4A)
 1.32A 4jq4B-4c2kA:
undetectable		 4jq4B-4c2kA:
24.51
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		5 TYR A 452
VAL A  54
ILE A 149
LEU A 145
LEU A 162
 None
 1.49A 4jq4B-4ckbA:
undetectable		 4jq4B-4ckbA:
16.80
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.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		5 HIS A  10
ILE A  98
TRP A  55
LEU A  67
LEU A  66
 None
 1.43A 4jq4B-4df3A:
undetectable		 4jq4B-4df3A:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hbk ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B4
(ALDOSE REDUCTASE)

(Schistosoma
japonicum) 		PF00248
(Aldo_ket_red) 		5 TYR A  48
HIS A 110
ASN A 160
TYR A 207
LEU A 295
 None
 0.51A 4jq4B-4hbkA:
43.8		 4jq4B-4hbkA:
40.85
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.
4jas HISTIDINE KINASE

(Thermotoga
maritima) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 HIS A 301
VAL A 268
ILE A 269
ASN A 304
LEU A 306
 None
 1.48A 4jq4B-4jasA:
undetectable		 4jq4B-4jasA:
20.71
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 TYR A 198
TYR A 166
ASN A 331
LEU A 125
LEU A  67
 PLM  A 601 (-3.9A)
PLM  A 601 (-4.5A)
PLM  A 601 ( 4.6A)
PLM  A 601 ( 4.3A)
PLM  A 601 ( 3.8A)
 1.32A 4jq4B-4n03A:
undetectable		 4jq4B-4n03A:
22.63
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 TYR A 138
VAL A 251
ASN A 533
LEU A 530
LEU A 531
 None
 1.43A 4jq4B-4ptfA:
undetectable		 4jq4B-4ptfA:
14.20
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.
4uzm PUTATIVE MEMBRANE
PROTEIN IGAA HOMOLOG

(Escherichia
coli) 		PF07095
(IgaA) 		5 VAL A  88
ILE A 136
ASN A  55
LEU A  60
LEU A  57
 None
 1.46A 4jq4B-4uzmA:
undetectable		 4jq4B-4uzmA:
16.01
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.
5b23 UNCHARACTERIZED
PROTEIN SORTASE B

(Clostridium
perfringens) 		PF04203
(Sortase) 		5 TYR A 134
VAL A  93
ILE A  82
ASN A 130
LEU A 227
 None
 1.13A 4jq4B-5b23A:
undetectable		 4jq4B-5b23A:
25.71
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.
5cfn STIMULATOR OF
INTERFERON GENES

(Nematostella
vectensis) 		PF15009
(TMEM173) 		5 TYR A 253
VAL A 352
ILE A 236
LEU A 306
LEU A 305
 None
 1.22A 4jq4B-5cfnA:
undetectable		 4jq4B-5cfnA:
20.00
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.
5g2x GROUP II
INTRON-ENCODED
PROTEIN LTRA

(Lactococcus
lactis) 		PF00078
(RVT_1)
PF01348
(Intron_maturas2) 		5 HIS C 131
VAL C 304
ILE C 311
TYR C 442
LEU C 357
 None
 1.33A 4jq4B-5g2xC:
undetectable		 4jq4B-5g2xC:
19.87
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.
5icq METHYLOCYSTIS PARVUS
OBBP MBNE

(Methylocystis
parvus) 		PF00496
(SBP_bac_5) 		5 TYR A 557
VAL A 394
ILE A 398
TYR A 499
LEU A 321
 None
 1.43A 4jq4B-5icqA:
undetectable		 4jq4B-5icqA:
20.58
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.
5vfy TCPK

(Clostridium
perfringens) 		no annotation 5 TYR A  93
VAL A  35
ILE A  40
TYR A 100
TRP A  59
 None
 1.18A 4jq4B-5vfyA:
undetectable		 4jq4B-5vfyA:
15.41
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.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 VAL A 378
ILE A 382
TYR A 181
LEU A 417
LEU A 442
 None
 1.29A 4jq4B-5zbiA:
undetectable		 4jq4B-5zbiA:
13.51
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 HIS A  51
VAL A  77
ILE A  79
TYR A 252
LEU A  44
 None
None
CB3  A 701 (-3.9A)
None
None
 1.49A 4jq4B-6cdzA:
undetectable		 4jq4B-6cdzA:
14.48
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 5 TYR K 772
HIS K 774
VAL K 787
ILE K 786
LEU K 817
 A  O  60 ( 4.7A)
A  O  60 ( 3.3A)
None
None
None
 1.45A 4jq4B-6d6qK:
undetectable		 4jq4B-6d6qK:
13.76
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 5 TYR A 723
VAL A 704
ILE A 754
TYR A1201
LEU A 734
 None
 1.38A 4jq4B-6en4A:
undetectable		 4jq4B-6en4A:
12.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 5 TYR A  24
TYR A  55
HIS A 117
ASN A 167
TYR A 216
 CJ2  A 402 (-4.2A)
CJ2  A 402 ( 4.1A)
CJ2  A 402 ( 3.8A)
NAP  A 401 ( 3.3A)
NAP  A 401 ( 3.2A)
 0.28A 4jq4B-6f2uA:
50.5		 4jq4B-6f2uA:
92.50