SIMILAR PATTERNS OF AMINO ACIDS FOR 4JQ4_A_IMNA401

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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 VAL A 237
TYR A 268
VAL A 263
LEU A 318
LEU A 316
 None
 1.38A 4jq4A-1c7tA:
11.2		 4jq4A-1c7tA:
17.85
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.
1odo PUTATIVE CYTOCHROME
P450 154A1

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 VAL A 171
TYR A 244
VAL A 174
LEU A 198
LEU A 195
 None
 1.37A 4jq4A-1odoA:
undetectable		 4jq4A-1odoA:
22.80
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) 		5 TYR A  24
TYR A  55
HIS A 117
TYR A 216
GLU A 224
 None
NDP  A1003 (-4.9A)
NDP  A1003 (-4.3A)
NDP  A1003 (-3.2A)
None
 0.26A 4jq4A-1q5mA:
52.2		 4jq4A-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.
2gx8 NIF3-RELATED PROTEIN

(Bacillus cereus) 		PF01784
(NIF3) 		5 TYR A 100
VAL A  64
VAL A  40
GLU A  15
LEU A 347
 None
 1.22A 4jq4A-2gx8A:
undetectable		 4jq4A-2gx8A:
22.17
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 VAL A  54
TYR A  55
HIS A 117
VAL A 128
GLU A 224
TRP A 227
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
 1.02A 4jq4A-2ipjA:
55.4		 4jq4A-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 VAL A  54
TYR A  55
HIS A 117
VAL A 128
TYR A 216
GLU A 224
TRP A 227
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.2A)
None
FFA  A 325 (-3.8A)
 0.83A 4jq4A-2ipjA:
55.4		 4jq4A-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 VAL A  54
TYR A  55
HIS A 117
VAL A 128
TYR A 216
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
None
NAP  A   1 (-3.2A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 0.75A 4jq4A-2ipjA:
55.4		 4jq4A-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 VAL A  47
TYR A  48
HIS A 110
TYR A 209
LEU A 300
 2CL  A 317 (-4.2A)
2CL  A 317 ( 4.5A)
2CL  A 317 ( 3.8A)
NAP  A 316 (-3.2A)
None
 0.67A 4jq4A-2is7A:
46.6		 4jq4A-2is7A:
49.07
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.
2iye COPPER-TRANSPORTING
ATPASE

(Sulfolobus
solfataricus) 		PF00702
(Hydrolase) 		5 VAL A 403
TYR A 404
VAL A 601
TYR A 388
LEU A 392
 None
 1.45A 4jq4A-2iyeA:
undetectable		 4jq4A-2iyeA:
25.57
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.
2pfz PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03480
(DctP) 		5 TYR A  96
VAL A  76
TYR A 116
LEU A 115
LEU A 212
 None
 1.41A 4jq4A-2pfzA:
undetectable		 4jq4A-2pfzA:
22.04
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.
3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Pyrobaculum
calidifontis) 		PF01370
(Epimerase) 		5 VAL A   5
VAL A  27
TYR A 160
TRP A 213
LEU A 210
 None
 1.26A 4jq4A-3aw9A:
undetectable		 4jq4A-3aw9A:
22.28
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.
3eqx FIC DOMAIN
CONTAINING
TRANSCRIPTIONAL
REGULATOR

(Shewanella
oneidensis) 		PF02661
(Fic)
PF13784
(Fic_N) 		5 TYR A 370
VAL A 289
TYR A 288
VAL A 302
LEU A 340
 None
 1.21A 4jq4A-3eqxA:
undetectable		 4jq4A-3eqxA:
23.45
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.
3khn MOTB PROTEIN,
PUTATIVE

(Desulfovibrio
vulgaris) 		PF00691
(OmpA) 		5 VAL A  35
VAL A  53
TYR A  26
LEU A  76
LEU A  73
 None
 1.48A 4jq4A-3khnA:
undetectable		 4jq4A-3khnA:
24.48
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Homo sapiens) 		PF03483
(B3_4)
PF03484
(B5) 		5 VAL B   4
VAL B  67
GLU B  78
LEU B  10
LEU B  11
 None
 1.29A 4jq4A-3l4gB:
undetectable		 4jq4A-3l4gB:
20.40
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
TYR A 216
GLU A 226
LEU A 306
 MLY  A  25 (-3.6A)
NAD  A 327 ( 4.7A)
MRD  A 328 ( 3.9A)
NAD  A 327 (-3.4A)
MLY  A  27 ( 3.3A)
MRD  A 328 ( 4.3A)
 0.98A 4jq4A-3ln3A:
50.3		 4jq4A-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 VAL A  58
TYR A  59
HIS A 130
VAL A  99
TYR A 208
 None
 0.96A 4jq4A-3n2tA:
26.7		 4jq4A-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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 TYR A 200
VAL A 172
VAL A 221
LEU A 249
LEU A 251
 None
 1.20A 4jq4A-3ppcA:
7.4		 4jq4A-3ppcA:
17.56
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 VAL A  47
TYR A  48
HIS A 110
TYR A 207
LEU A 295
 None
 0.66A 4jq4A-4hbkA:
43.7		 4jq4A-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.
5bpz ANAPC5 PROTEIN

(Xenopus laevis) 		no annotation 5 VAL A  39
VAL A  91
TYR A 141
LEU A 152
LEU A 156
 None
None
None
EDO  A 202 ( 4.9A)
None
 1.20A 4jq4A-5bpzA:
undetectable		 4jq4A-5bpzA:
20.30
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.
5lzl DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pyrobaculum
calidifontis) 		PF00490
(ALAD) 		5 VAL A 103
TYR A 163
VAL A  39
TYR A  97
LEU A 126
 None
 1.42A 4jq4A-5lzlA:
10.3		 4jq4A-5lzlA:
21.87
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.
5n8n EVPB FAMILY TYPE VI
SECRETION PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 VAL B 455
VAL B 457
TYR B 432
TRP B 424
LEU B 404
 None
 1.47A 4jq4A-5n8nB:
0.9		 4jq4A-5n8nB:
12.84
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 VAL A1653
TYR A1647
HIS A1212
VAL A1666
LEU A1199
 None
 1.43A 4jq4A-6fb3A:
undetectable		 4jq4A-6fb3A:
12.31