SIMILAR PATTERNS OF AMINO ACIDS FOR 3BOY_A_HISA1001

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 ARG A 128
GLY A 125
ALA A 126
HIS A 118
HIS A  51
 None
 1.33A 3boyA-1ehwA:
undetectable
3boyC-1ehwA:
0.0		 3boyA-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 GLY A 367
HIS A  69
HIS A  67
TYR A 283
HIS A 250
 None
ZN  A 802 ( 3.0A)
ZN  A 802 ( 3.2A)
ACT  A 902 (-4.4A)
ZN  A 801 ( 3.2A)
 1.10A 3boyA-1m7jA:
0.0
3boyC-1m7jA:
0.0		 3boyA-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 GLY A 361
ALA A 261
HIS A 214
HIS A 363
HIS A 258
 None
None
ZN  A1001 (-3.2A)
ZN  A1001 (-3.3A)
ZN  A1000 (-3.2A)
 1.47A 3boyA-2gsnA:
0.0
3boyC-2gsnA:
0.0		 3boyA-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 ARG A 193
GLY A  56
ALA A  66
HIS A  59
HIS A  61
 None
 1.39A 3boyA-2i3aA:
0.8
3boyC-2i3aA:
0.0		 3boyA-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 GLY A 405
ALA A 447
HIS A 406
HIS A 461
HIS A 444
 None
None
MN  A 601 (-3.6A)
MN  A 601 (-3.4A)
MN  A 701 (-3.3A)
 1.45A 3boyA-2ifyA:
0.0
3boyC-2ifyA:
0.0		 3boyA-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 GLY A  72
ALA A  51
HIS A  73
HIS A  48
HIS A 128
 None
None
ZN  A 156 ( 3.2A)
CU1  A 155 (-3.1A)
CU1  A 155 (-3.0A)
 1.46A 3boyA-2k4wA:
0.0
3boyC-2k4wA:
0.0		 3boyA-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 GLY A 172
ALA A 173
HIS A 143
HIS A  76
HIS A  81
 SPD  A 304 ( 4.2A)
SPD  A 304 (-3.9A)
None
ZN  A 302 (-3.4A)
ZN  A 301 (-3.3A)
 1.27A 3boyA-2p18A:
0.0
3boyC-2p18A:
undetectable		 3boyA-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 GLY A  83
ALA A  84
HIS A  79
HIS A 111
HIS A  65
 None
None
FE  A 220 (-3.4A)
FE  A 220 ( 3.4A)
FE  A 221 (-3.4A)
 1.23A 3boyA-2pq7A:
0.0
3boyC-2pq7A:
0.0		 3boyA-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 GLY A 327
ALA A 326
HIS A 331
HIS A 334
HIS A 378
 None
 1.26A 3boyA-2vrkA:
0.5
3boyC-2vrkA:
0.5		 3boyA-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 ARG A 494
GLY A  90
ALA A  88
HIS A 428
HIS A 364
 ZN  A1567 ( 4.8A)
None
None
ZN  A1567 (-3.4A)
ZN  A1565 (-3.2A)
 1.02A 3boyA-2w9mA:
undetectable
3boyC-2w9mA:
undetectable		 3boyA-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 ILE A 175
GLY A  98
ALA A  99
HIS A  25
HIS A  96
 None
 1.19A 3boyA-3a9vA:
undetectable
3boyC-3a9vA:
undetectable		 3boyA-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 GLY A 366
HIS A  68
HIS A  66
TYR A 282
HIS A 248
 None
ACY  A 481 (-4.8A)
ACY  A 481 ( 4.9A)
FMT  A 482 (-4.4A)
ZN  A 484 (-3.3A)
 1.09A 3boyA-3gipA:
undetectable
3boyC-3gipA:
undetectable		 3boyA-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 ILE A 623
GLY A 622
ALA A 634
TYR A 570
HIS A 557
 None
 1.06A 3boyA-3hpsA:
undetectable
3boyC-3hpsA:
undetectable		 3boyA-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 ILE A 256
ALA A 247
HIS A 179
TYR A 199
TYR A 212
 None
None
None
None
M44  A 518 (-3.6A)
 1.47A 3boyA-3l7gA:
1.9
3boyC-3l7gA:
undetectable		 3boyA-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 ARG A  53
ILE A 355
GLY A 354
ALA A 353
TYR A  46
 None
 1.45A 3boyA-3pz9A:
undetectable
3boyC-3pz9A:
undetectable		 3boyA-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 ARG A  42
GLY A  39
ALA A  71
TYR A  35
HIS A  56
 None
 1.24A 3boyA-3u5uA:
undetectable
3boyC-3u5uA:
undetectable		 3boyA-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 GLY A 315
ALA A 316
HIS A 273
HIS A 461
HIS A 312
 None
None
ZN  A 504 (-3.4A)
ZN  A 504 ( 3.5A)
ZN  A 505 (-3.1A)
 1.08A 3boyA-3wbhA:
undetectable
3boyC-3wbhA:
undetectable		 3boyA-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 ARG A  26
GLY A  23
ALA A  54
TYR A  19
HIS A  40
 None
 1.18A 3boyA-3wh7A:
undetectable
3boyC-3wh7A:
undetectable		 3boyA-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 ILE A 201
GLY A   9
ALA A  10
TYR A   6
HIS A  16
 None
None
GSH  A 302 ( 3.9A)
None
None
 1.25A 3boyA-4gciA:
undetectable
3boyC-4gciA:
undetectable		 3boyA-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 ILE A 327
GLY A  46
ALA A 117
HIS A 294
HIS A 295
 None
 1.49A 3boyA-4it1A:
undetectable
3boyC-4it1A:
undetectable		 3boyA-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 ARG A  15
GLY A 223
ALA A 235
HIS A 198
HIS A 200
 OXL  A 401 (-2.7A)
None
None
MN  A 402 ( 3.5A)
MN  A 402 ( 3.4A)
 1.42A 3boyA-4jn6A:
undetectable
3boyC-4jn6A:
undetectable		 3boyA-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
 0.16A 3boyA-4okqA:
24.3
3boyC-4okqA:
24.4		 3boyA-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 ILE A 133
GLY A 251
HIS A 355
TYR A 416
HIS A 317
 None
None
None
SO4  A 701 (-4.5A)
SO4  A 701 (-4.3A)
 1.16A 3boyA-4pdxA:
undetectable
3boyC-4pdxA:
undetectable		 3boyA-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 GLY A 283
ALA A 282
HIS A 185
HIS A 253
HIS A 321
 None
None
ZN  A 501 (-3.6A)
ZN  A 501 ( 3.5A)
3PE  A 503 (-3.8A)
 1.02A 3boyA-4qn9A:
undetectable
3boyC-4qn9A:
undetectable		 3boyA-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 ARG A  85
TYR A 181
HIS A 179
TYR A  74
HIS A 110
 GOL  A 401 (-2.8A)
None
GOL  A 401 (-3.9A)
None
GOL  A 401 (-4.2A)
 1.44A 3boyA-4rnlA:
undetectable
3boyC-4rnlA:
undetectable		 3boyA-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.
4s1b LMO1466 PROTEIN

(Listeria
monocytogenes) 		PF01966
(HD) 		5 ILE A 545
GLY A 584
ALA A 585
HIS A 580
HIS A 604
 None
None
None
FE  A 801 ( 3.5A)
FE  A 801 (-3.5A)
 1.47A 3boyA-4s1bA:
1.2
3boyC-4s1bA:
undetectable		 3boyA-4s1bA:
20.18
3boyC-4s1bA:
20.18
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.
5hkf OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00156
(Pribosyltran) 		5 ARG A  55
ILE A  80
GLY A  51
ALA A  48
HIS A  82
 None
 1.29A 3boyA-5hkfA:
undetectable
3boyC-5hkfA:
undetectable		 3boyA-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 GLY A 429
ALA A 471
HIS A 430
HIS A 485
HIS A 468
 None
None
MN  A 604 (-3.4A)
MN  A 604 (-3.3A)
ZN  A 605 (-3.1A)
 1.46A 3boyA-5kgnA:
undetectable
3boyC-5kgnA:
undetectable		 3boyA-5kgnA:
13.11
3boyC-5kgnA:
13.11