SIMILAR PATTERNS OF AMINO ACIDS FOR 3BOY_A_HISA3001

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.
1ehw NUCLEOSIDE
DIPHOSPHATE KINASE

(Homo sapiens) 		PF00334
(NDK) 		5 HIS A 118
HIS A  51
ARG A 128
GLY A 125
ALA A 126
 None
 1.34A 3boyB-1ehwA:
0.0
3boyC-1ehwA:
0.0		 3boyB-1ehwA:
20.23
3boyC-1ehwA:
20.23
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 HIS A  67
TYR A 283
HIS A 250
GLY A 367
HIS A  69
 ZN  A 802 ( 3.2A)
ACT  A 902 (-4.4A)
ZN  A 801 ( 3.2A)
None
ZN  A 802 ( 3.0A)
 1.10A 3boyB-1m7jA:
0.0
3boyC-1m7jA:
0.0		 3boyB-1m7jA:
16.08
3boyC-1m7jA:
16.08
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		5 HIS A 363
HIS A 258
GLY A 361
ALA A 261
HIS A 214
 ZN  A1001 (-3.3A)
ZN  A1000 (-3.2A)
None
None
ZN  A1001 (-3.2A)
 1.45A 3boyB-2gsnA:
0.0
3boyC-2gsnA:
0.0		 3boyB-2gsnA:
15.17
3boyC-2gsnA:
15.17
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.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 HIS A  61
ARG A 193
GLY A  56
ALA A  66
HIS A  59
 None
 1.40A 3boyB-2i3aA:
0.9
3boyC-2i3aA:
0.0		 3boyB-2i3aA:
19.24
3boyC-2i3aA:
19.24
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 461
HIS A 444
GLY A 405
ALA A 447
HIS A 406
 MN  A 601 (-3.4A)
MN  A 701 (-3.3A)
None
None
MN  A 601 (-3.6A)
 1.44A 3boyB-2ifyA:
0.0
3boyC-2ifyA:
0.0		 3boyB-2ifyA:
16.52
3boyC-2ifyA:
16.52
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.
2k4w SUPEROXIDE DISMUTASE
[CU-ZN]

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A  48
HIS A 128
GLY A  72
ALA A  51
HIS A  73
 CU1  A 155 (-3.1A)
CU1  A 155 (-3.0A)
None
None
ZN  A 156 ( 3.2A)
 1.47A 3boyB-2k4wA:
0.0
3boyC-2k4wA:
0.0		 3boyB-2k4wA:
18.24
3boyC-2k4wA:
18.24
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 HIS A  76
HIS A  81
GLY A 172
ALA A 173
HIS A 143
 ZN  A 302 (-3.4A)
ZN  A 301 (-3.3A)
SPD  A 304 ( 4.2A)
SPD  A 304 (-3.9A)
None
 1.27A 3boyB-2p18A:
undetectable
3boyC-2p18A:
undetectable		 3boyB-2p18A:
18.06
3boyC-2p18A:
18.06
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.
2pq7 PREDICTED HD
SUPERFAMILY
HYDROLASE

(uncultured
Thermotogales
bacterium) 		PF01966
(HD) 		5 HIS A 111
HIS A  65
GLY A  83
ALA A  84
HIS A  79
 FE  A 220 ( 3.4A)
FE  A 221 (-3.4A)
None
None
FE  A 220 (-3.4A)
 1.24A 3boyB-2pq7A:
0.0
3boyC-2pq7A:
0.0		 3boyB-2pq7A:
22.17
3boyC-2pq7A:
22.17
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.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		5 HIS A 334
HIS A 378
GLY A 327
ALA A 326
HIS A 331
 None
 1.26A 3boyB-2vrkA:
0.5
3boyC-2vrkA:
0.5		 3boyB-2vrkA:
15.42
3boyC-2vrkA:
15.42
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 HIS A 364
ARG A 494
GLY A  90
ALA A  88
HIS A 428
 ZN  A1565 (-3.2A)
ZN  A1567 ( 4.8A)
None
None
ZN  A1567 (-3.4A)
 1.02A 3boyB-2w9mA:
undetectable
3boyC-2w9mA:
undetectable		 3boyB-2w9mA:
14.56
3boyC-2w9mA:
14.56
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 HIS A  96
ILE A 175
GLY A  98
ALA A  99
HIS A  25
 None
 1.20A 3boyB-3a9vA:
undetectable
3boyC-3a9vA:
undetectable		 3boyB-3a9vA:
15.46
3boyC-3a9vA:
15.46
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 HIS A  66
TYR A 282
HIS A 248
GLY A 366
HIS A  68
 ACY  A 481 ( 4.9A)
FMT  A 482 (-4.4A)
ZN  A 484 (-3.3A)
None
ACY  A 481 (-4.8A)
 1.08A 3boyB-3gipA:
undetectable
3boyC-3gipA:
undetectable		 3boyB-3gipA:
14.38
3boyC-3gipA:
14.38
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.
3hps 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF08502
(LeuA_dimer) 		5 TYR A 570
HIS A 557
ILE A 623
GLY A 622
ALA A 634
 None
 1.06A 3boyB-3hpsA:
undetectable
3boyC-3hpsA:
undetectable		 3boyB-3hpsA:
12.90
3boyC-3hpsA:
12.90
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 TYR A 199
TYR A 212
ILE A 256
ALA A 247
HIS A 179
 None
M44  A 518 (-3.6A)
None
None
None
 1.45A 3boyB-3l7gA:
undetectable
3boyC-3l7gA:
undetectable		 3boyB-3l7gA:
17.48
3boyC-3l7gA:
17.48
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.
3pz9 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE. GLYCOSYL
HYDROLASE FAMILY 5

(Thermotoga
petrophila) 		PF00150
(Cellulase) 		5 TYR A  46
ARG A  53
ILE A 355
GLY A 354
ALA A 353
 None
 1.44A 3boyB-3pz9A:
undetectable
3boyC-3pz9A:
undetectable		 3boyB-3pz9A:
17.23
3boyC-3pz9A:
17.23
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 TYR A  35
HIS A  56
ARG A  42
GLY A  39
ALA A  71
 None
 1.23A 3boyB-3u5uA:
undetectable
3boyC-3u5uA:
undetectable		 3boyB-3u5uA:
14.31
3boyC-3u5uA:
14.31
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		5 HIS A 461
HIS A 312
GLY A 315
ALA A 316
HIS A 273
 ZN  A 504 ( 3.5A)
ZN  A 505 (-3.1A)
None
None
ZN  A 504 (-3.4A)
 1.08A 3boyB-3wbhA:
undetectable
3boyC-3wbhA:
undetectable		 3boyB-3wbhA:
16.37
3boyC-3wbhA:
16.37
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.
3wh7 BETA-GLUCOSIDASE

(metagenomes) 		PF00232
(Glyco_hydro_1) 		5 TYR A  19
HIS A  40
ARG A  26
GLY A  23
ALA A  54
 None
 1.17A 3boyB-3wh7A:
undetectable
3boyC-3wh7A:
undetectable		 3boyB-3wh7A:
15.55
3boyC-3wh7A:
15.55
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.
4gci GLUTATHIONE
S-TRANSFERASE

(Yersinia pestis) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 TYR A   6
HIS A  16
ILE A 201
GLY A   9
ALA A  10
 None
None
None
None
GSH  A 302 ( 3.9A)
 1.25A 3boyB-4gciA:
undetectable
3boyC-4gciA:
undetectable		 3boyB-4gciA:
21.13
3boyC-4gciA:
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 294
HIS A 295
ILE A 327
GLY A  46
ALA A 117
 None
 1.50A 3boyB-4it1A:
undetectable
3boyC-4it1A:
undetectable		 3boyB-4it1A:
14.54
3boyC-4it1A:
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.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 HIS A 200
ARG A  15
GLY A 223
ALA A 235
HIS A 198
 MN  A 402 ( 3.4A)
OXL  A 401 (-2.7A)
None
None
MN  A 402 ( 3.5A)
 1.42A 3boyB-4jn6A:
undetectable
3boyC-4jn6A:
undetectable		 3boyB-4jn6A:
18.02
3boyC-4jn6A:
18.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4okq HUT OPERON POSITIVE
REGULATORY PROTEIN

(Geobacillus
thermodenitrificans) 		PF09021
(HutP) 		6 ARG A  89
ARG A  99
ILE A 130
GLY A 131
ALA A 132
HIS A 139
 None
 0.18A 3boyB-4okqA:
24.8
3boyC-4okqA:
24.4		 3boyB-4okqA:
57.72
3boyC-4okqA:
57.72
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 TYR A 416
HIS A 317
ILE A 133
GLY A 251
HIS A 355
 SO4  A 701 (-4.5A)
SO4  A 701 (-4.3A)
None
None
None
 1.16A 3boyB-4pdxA:
undetectable
3boyC-4pdxA:
undetectable		 3boyB-4pdxA:
12.95
3boyC-4pdxA:
12.95
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 HIS A 253
HIS A 321
GLY A 283
ALA A 282
HIS A 185
 ZN  A 501 ( 3.5A)
3PE  A 503 (-3.8A)
None
None
ZN  A 501 (-3.6A)
 1.02A 3boyB-4qn9A:
undetectable
3boyC-4qn9A:
undetectable		 3boyB-4qn9A:
16.71
3boyC-4qn9A:
16.71
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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		5 TYR A 181
HIS A 179
TYR A  74
HIS A 110
ARG A  85
 None
GOL  A 401 (-3.9A)
None
GOL  A 401 (-4.2A)
GOL  A 401 (-2.8A)
 1.44A 3boyB-4rnlA:
undetectable
3boyC-4rnlA:
undetectable		 3boyB-4rnlA:
21.21
3boyC-4rnlA:
21.21
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.
5hkf OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00156
(Pribosyltran) 		5 HIS A  82
ARG A  55
ILE A  80
GLY A  51
ALA A  48
 None
 1.29A 3boyB-5hkfA:
undetectable
3boyC-5hkfA:
undetectable		 3boyB-5hkfA:
23.62
3boyC-5hkfA:
23.62
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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 HIS A 485
HIS A 468
GLY A 429
ALA A 471
HIS A 430
 MN  A 604 (-3.3A)
ZN  A 605 (-3.1A)
None
None
MN  A 604 (-3.4A)
 1.45A 3boyB-5kgnA:
undetectable
3boyC-5kgnA:
undetectable		 3boyB-5kgnA:
13.11
3boyC-5kgnA:
13.11