SIMILAR PATTERNS OF AMINO ACIDS FOR 3UCB_B_017B202

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.
1a6b ZINC FINGER PROTEIN
NCP10


(Murine leukemia
virus)
PF00098
(zf-CCHC)
4 PRO B  40
ARG B  44
GLY B  45
PRO B  46
None
1.09A 3ucbB-1a6bB:
undetectable
3ucbB-1a6bB:
20.48
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.
1an7 RIBOSOMAL PROTEIN S8

(Thermus
thermophilus)
PF00410
(Ribosomal_S8)
4 PRO A  67
ARG A  69
GLY A  71
PRO A  72
None
1.30A 3ucbB-1an7A:
undetectable
3ucbB-1an7A:
19.42
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.
1ash HEMOGLOBIN (OXY)

(Ascaris suum)
PF00042
(Globin)
4 PRO A  59
LYS A  63
ARG A  23
GLY A  26
None
1.32A 3ucbB-1ashA:
undetectable
3ucbB-1ashA:
21.94
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.
1dwu RIBOSOMAL PROTEIN L1

(Methanothermococcus
thermolithotrophicus)
PF00687
(Ribosomal_L1)
4 PRO A 113
LYS A 117
GLY A 120
PRO A 121
None
1.36A 3ucbB-1dwuA:
undetectable
3ucbB-1dwuA:
21.08
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.
1eje FMN-BINDING PROTEIN

(Methanothermobacter
thermautotrophicus)
PF01613
(Flavin_Reduct)
4 PRO A 122
ARG A 123
GLY A 129
PRO A 128
None
1.24A 3ucbB-1ejeA:
undetectable
3ucbB-1ejeA:
18.56
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.
1fnh PROTEIN
(FIBRONECTIN)


(Homo sapiens)
PF00041
(fn3)
4 PRO A 229
ARG A 230
GLY A 212
PRO A 233
None
1.36A 3ucbB-1fnhA:
undetectable
3ucbB-1fnhA:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 TRP A  42
PRO A  44
MET A  46
ARG A  57
PRO A  79
None
0.98A 3ucbB-1hvcA:
13.2
3ucbB-1hvcA:
38.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 TRP A  42
PRO A  44
MET A  46
GLY A  78
PRO A  79
None
0.63A 3ucbB-1hvcA:
13.2
3ucbB-1hvcA:
38.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 TRP A  42
PRO A  44
MET A  46
LYS A  55
GLY A  78
PRO A  79
None
0.60A 3ucbB-1hvcA:
13.2
3ucbB-1hvcA:
38.92
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
5 TRP A  11
PRO A 356
MET A 362
ARG A 353
GLY A 365
CL  A 801 (-4.4A)
None
None
None
None
1.46A 3ucbB-1kwgA:
undetectable
3ucbB-1kwgA:
11.78
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.
1pxy FIMBRIN-LIKE PROTEIN

(Arabidopsis
thaliana)
PF00307
(CH)
4 PRO A 449
LYS A 447
ARG A 451
PRO A 445
None
1.16A 3ucbB-1pxyA:
undetectable
3ucbB-1pxyA:
12.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens)
PF00077
(RVP)
4 MET A  46
LYS A  55
GLY A  78
PRO A  79
None
1.38A 3ucbB-1q9pA:
9.6
3ucbB-1q9pA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens)
PF00077
(RVP)
5 PRO A  44
MET A  46
ARG A  57
GLY A  78
PRO A  79
None
0.95A 3ucbB-1q9pA:
9.6
3ucbB-1q9pA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens)
PF00077
(RVP)
4 TRP A  42
PRO A  44
MET A  46
PRO A  79
None
1.06A 3ucbB-1q9pA:
9.6
3ucbB-1q9pA:
80.00
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.
1t2w SORTASE

(Staphylococcus
aureus)
PF04203
(Sortase)
4 TRP A 194
PRO A  94
GLY A  90
PRO A  89
GLY  A 335 (-4.4A)
None
None
None
1.39A 3ucbB-1t2wA:
undetectable
3ucbB-1t2wA:
25.64
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 MET A 276
ARG A 271
GLY A 270
PRO A 295
None
NAD  A1377 ( 4.7A)
NAD  A1377 ( 3.8A)
None
1.37A 3ucbB-1u3tA:
undetectable
3ucbB-1u3tA:
14.71
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.
1vjg PUTATIVE LIPASE FROM
THE G-D-S-L FAMILY


(Nostoc sp. PCC
7120)
PF13472
(Lipase_GDSL_2)
4 PRO A 127
ARG A 137
GLY A 135
PRO A 134
None
1.31A 3ucbB-1vjgA:
undetectable
3ucbB-1vjgA:
17.97
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.
1ydw AX110P-LIKE PROTEIN

(Arabidopsis
thaliana)
PF01408
(GFO_IDH_MocA)
4 PRO A  80
LYS A 176
ARG A 174
GLY A 183
None
1.30A 3ucbB-1ydwA:
undetectable
3ucbB-1ydwA:
12.71
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE


(Pseudomonas
stutzeri)
PF00128
(Alpha-amylase)
PF09081
(DUF1921)
4 PRO A  32
ARG A  29
GLY A 300
PRO A 299
None
1.38A 3ucbB-2amgA:
undetectable
3ucbB-2amgA:
14.11
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.
2atm HYALURONOGLUCOSAMINI
DASE


(Vespula
vulgaris)
PF01630
(Glyco_hydro_56)
4 PRO A  75
MET A 161
GLY A  54
PRO A  53
None
1.33A 3ucbB-2atmA:
undetectable
3ucbB-2atmA:
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.
2c1z UDP-GLUCOSE
FLAVONOID 3-O
GLYCOSYLTRANSFERASE


(Vitis vinifera)
PF00201
(UDPGT)
4 LYS A 436
ARG A 431
GLY A 434
PRO A 435
None
1.40A 3ucbB-2c1zA:
undetectable
3ucbB-2c1zA:
16.07
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.
2d8m DNA-REPAIR PROTEIN
XRCC1


(Homo sapiens)
PF00533
(BRCT)
4 PRO A   9
ARG A  11
GLY A  15
PRO A  16
None
1.08A 3ucbB-2d8mA:
undetectable
3ucbB-2d8mA:
20.16
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.
2do5 SPLICING FACTOR 3B
SUBUNIT 2


(Homo sapiens)
PF02037
(SAP)
4 TRP A   4
ARG A  44
GLY A  47
PRO A  48
None
1.16A 3ucbB-2do5A:
undetectable
3ucbB-2do5A:
19.15
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.
2exr CYTOKININ
DEHYDROGENASE 7


(Arabidopsis
thaliana)
PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind)
4 PRO A 157
ARG A 158
GLY A 185
PRO A 186
None
1.36A 3ucbB-2exrA:
undetectable
3ucbB-2exrA:
13.26
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.
2h3j HYPOTHETICAL PROTEIN
PA4359


(Pseudomonas
aeruginosa)
PF04023
(FeoA)
4 PRO A  73
ARG A  11
GLY A  35
PRO A  34
None
1.36A 3ucbB-2h3jA:
undetectable
3ucbB-2h3jA:
18.37
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.
2kkl UNCHARACTERIZED
PROTEIN MB1858


(Mycobacterium
bovis)
PF00498
(FHA)
4 LYS A 141
ARG A  62
GLY A  63
PRO A  64
None
1.25A 3ucbB-2kklA:
undetectable
3ucbB-2kklA:
24.03
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.
2kkl UNCHARACTERIZED
PROTEIN MB1858


(Mycobacterium
bovis)
PF00498
(FHA)
4 LYS A 141
ARG A 143
GLY A  63
PRO A  64
None
1.33A 3ucbB-2kklA:
undetectable
3ucbB-2kklA:
24.03
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.
2lqn CRK-LIKE PROTEIN

(Homo sapiens)
PF00017
(SH2)
PF00018
(SH3_1)
PF07653
(SH3_2)
4 PRO A 103
ARG A 104
GLY A  17
PRO A  18
None
1.18A 3ucbB-2lqnA:
undetectable
3ucbB-2lqnA:
17.38
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.
2nty EMB|CAB41934.1
RAC-LIKE GTP-BINDING
PROTEIN ARAC5


(Arabidopsis
thaliana)
PF00071
(Ras)
PF03759
(PRONE)
4 PRO A 162
ARG A 142
GLY C 134
PRO C 133
None
1.24A 3ucbB-2ntyA:
undetectable
3ucbB-2ntyA:
12.88
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.
2osy ENDOGLYCOCERAMIDASE
II


(Rhodococcus sp.)
PF00150
(Cellulase)
4 TRP A 195
PRO A 234
GLY A 241
PRO A 242
None
1.19A 3ucbB-2osyA:
undetectable
3ucbB-2osyA:
11.99
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE


(unidentified)
PF01979
(Amidohydro_1)
4 PRO A 422
ARG A 423
GLY A 433
PRO A 434
None
1.24A 3ucbB-2pajA:
undetectable
3ucbB-2pajA:
12.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 PRO A  44
LYS A  55
ARG A  57
PRO A  79
None
1.05A 3ucbB-2rkfA:
20.5
3ucbB-2rkfA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 TRP A  42
PRO A  44
LYS A  55
GLY A  78
PRO A  79
None
0.39A 3ucbB-2rkfA:
20.5
3ucbB-2rkfA:
76.77
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1


(Homo sapiens)
PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2)
4 PRO A 148
MET A 344
GLY A 347
PRO A 348
None
0.90A 3ucbB-2vn8A:
undetectable
3ucbB-2vn8A:
18.35
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
4 PRO A 309
ARG A 310
GLY A 363
PRO A 334
None
1.24A 3ucbB-2wanA:
undetectable
3ucbB-2wanA:
8.25
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.
2y3s TAML

(Streptomyces
sp. 307-9)
PF01565
(FAD_binding_4)
PF08031
(BBE)
4 PRO A 218
ARG A 217
GLY A 212
PRO A 211
None
1.30A 3ucbB-2y3sA:
undetectable
3ucbB-2y3sA:
10.36
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE


(Bifidobacterium
breve)
PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N)
4 TRP A 194
PRO A 210
GLY A  94
PRO A  95
None
None
None
HTL  A 827 ( 4.7A)
1.24A 3ucbB-3ahiA:
undetectable
3ucbB-3ahiA:
8.64
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE


(Bifidobacterium
longum)
PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N)
4 TRP A 194
PRO A 210
GLY A  94
PRO A  95
None
None
None
TPP  A 900 ( 4.6A)
1.23A 3ucbB-3ai7A:
undetectable
3ucbB-3ai7A:
8.15
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT


(Cupriavidus
pinatubonensis)
no annotation 4 PRO A  66
ARG A  68
GLY A 128
PRO A 127
None
1.38A 3ucbB-3b7fA:
undetectable
3ucbB-3b7fA:
13.79
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.
3bio OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY


(Porphyromonas
gingivalis)
PF01408
(GFO_IDH_MocA)
PF16654
(DAPDH_C)
4 PRO A 256
MET A 152
GLY A 149
PRO A 150
ACT  A3001 ( 4.1A)
None
None
None
1.40A 3ucbB-3bioA:
undetectable
3ucbB-3bioA:
15.79
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.
3byh FIMBRIN ABD2

(Homo sapiens)
PF00307
(CH)
4 PRO B 449
LYS B 447
ARG B 451
PRO B 445
None
1.16A 3ucbB-3byhB:
undetectable
3ucbB-3byhB:
18.22
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli)
PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5)
4 TRP A 128
PRO A 130
ARG A  38
PRO A  27
None
1.33A 3ucbB-3d1jA:
undetectable
3ucbB-3d1jA:
11.81
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.
3dip ENOLASE

(unidentified)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 PRO A  16
ARG A  15
GLY A 324
PRO A 325
None
1.36A 3ucbB-3dipA:
undetectable
3ucbB-3dipA:
12.75
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN


(Escherichia
coli)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N)
4 MET A1107
ARG A1112
GLY A1114
PRO A1115
None
1.32A 3ucbB-3egwA:
undetectable
3ucbB-3egwA:
5.98
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.
3g7q VALINE-PYRUVATE
AMINOTRANSFERASE


(Salmonella
enterica)
PF00155
(Aminotran_1_2)
4 TRP A 380
PRO A 155
GLY A 375
PRO A 374
None
1.31A 3ucbB-3g7qA:
undetectable
3ucbB-3g7qA:
13.73
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.
3ghg FIBRINOGEN GAMMA
CHAIN


(Homo sapiens)
PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha)
4 LYS C 273
ARG C 275
GLY C 268
PRO C 269
LYS  C 273 ( 0.0A)
ARG  C 275 ( 0.6A)
GLY  C 268 ( 0.0A)
PRO  C 269 ( 1.1A)
1.32A 3ucbB-3ghgC:
undetectable
3ucbB-3ghgC:
12.71
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.
3goa 3-KETOACYL-COA
THIOLASE


(Salmonella
enterica)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
4 PRO A 277
MET A 280
GLY A 283
PRO A 284
None
1.26A 3ucbB-3goaA:
undetectable
3ucbB-3goaA:
15.49
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2


(Gallus gallus)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
4 TRP B 135
PRO B 134
ARG B 133
PRO B 130
None
1.40A 3ucbB-3h1lB:
undetectable
3ucbB-3h1lB:
13.53
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA


(Pseudomonas
aeruginosa)
PF01804
(Penicil_amidase)
4 TRP B 455
ARG B 365
GLY B 345
PRO B 346
None
EDO  B 912 (-2.8A)
None
None
1.26A 3ucbB-3l91B:
undetectable
3ucbB-3l91B:
18.12
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.
3ml0 PENICILLIN G
ACYLASE, BETA
SUBUNIT


(Alcaligenes
faecalis)
PF01804
(Penicil_amidase)
4 TRP B 281
MET B 495
GLY B  21
PRO B  22
None
1.29A 3ucbB-3ml0B:
undetectable
3ucbB-3ml0B:
11.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 TRP A  42
PRO A  44
MET A  46
ARG A  57
GLY A  78
PRO A  79
None
0.43A 3ucbB-3mwsA:
20.2
3ucbB-3mwsA:
70.71
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE


(Taxus
canadensis)
PF00221
(Lyase_aromatic)
4 TRP A 294
MET A 260
ARG A 624
PRO A 300
None
1.19A 3ucbB-3nz4A:
undetectable
3ucbB-3nz4A:
8.44
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988


(Thermus
thermophilus)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
4 PRO A 308
ARG A 326
GLY A 327
PRO A 328
None
1.30A 3ucbB-3oepA:
undetectable
3ucbB-3oepA:
12.74
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.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE


(Paenarthrobacter
aurescens)
PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
4 PRO A  56
ARG A  36
GLY A  37
PRO A  38
GOL  A 563 (-3.6A)
None
GOL  A 564 (-3.9A)
GOL  A 564 (-4.0A)
1.37A 3ucbB-3rcnA:
undetectable
3ucbB-3rcnA:
10.89
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2


(Saccharopolyspora
spinosa)
PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2)
4 PRO A 276
ARG A 191
GLY A 280
PRO A 281
None
1.14A 3ucbB-3slkA:
undetectable
3ucbB-3slkA:
8.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 PRO A  44
MET A  46
ARG A  57
GLY A  78
None
0.82A 3ucbB-3t3cA:
18.7
3ucbB-3t3cA:
69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 TRP A  42
PRO A  44
ARG A  57
GLY A  78
PRO A  79
None
0.49A 3ucbB-3t3cA:
18.7
3ucbB-3t3cA:
69.70
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.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN


(Roseovarius sp.
TM1035)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 TRP A 112
LYS A 121
GLY A 368
PRO A 367
None
1.36A 3ucbB-3t9pA:
undetectable
3ucbB-3t9pA:
14.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 PRO A  44
MET A  46
LYS A  55
ARG A  57
None
1.04A 3ucbB-3ttpA:
19.9
3ucbB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 TRP A  42
PRO A  44
MET A  46
LYS A  55
GLY A  78
PRO A  79
None
0.50A 3ucbB-3ttpA:
19.9
3ucbB-3ttpA:
78.79
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.
3tvt DISKS LARGE 1 TUMOR
SUPPRESSOR PROTEIN


(Drosophila
melanogaster)
PF00018
(SH3_1)
PF00625
(Guanylate_kin)
4 PRO A 787
ARG A 786
GLY A 964
PRO A 965
None
1.37A 3ucbB-3tvtA:
undetectable
3ucbB-3tvtA:
16.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 TRP A  42
PRO A  44
GLY A  78
PRO A  79
None
0.30A 3ucbB-3u7sA:
19.9
3ucbB-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 TRP A  42
LYS A  55
GLY A  78
PRO A  79
None
1.25A 3ucbB-3uhlA:
16.6
3ucbB-3uhlA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 TRP A  42
PRO A  44
ARG A  57
GLY A  78
PRO A  79
None
0.58A 3ucbB-3uhlA:
16.6
3ucbB-3uhlA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 TRP A  42
PRO A  44
MET A  46
ARG A  57
None
None
SO4  A 102 (-4.8A)
None
1.05A 3ucbB-3uhlA:
16.6
3ucbB-3uhlA:
100.00
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I


(Anas
platyrhynchos)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2)
4 PRO A 118
MET A 113
GLY A 578
PRO A 579
None
1.23A 3ucbB-4a2qA:
undetectable
3ucbB-4a2qA:
8.97
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I


(Anas
platyrhynchos)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2)
4 PRO A 118
MET A 113
GLY A 578
PRO A 579
None
1.33A 3ucbB-4a2wA:
undetectable
3ucbB-4a2wA:
10.30
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.
4eyo EXTRACELLULAR
LIGAND-BINDING
RECEPTOR


(Rhodopseudomonas
palustris)
PF13458
(Peripla_BP_6)
4 PRO A 141
MET A 138
GLY A 269
PRO A 270
None
1.17A 3ucbB-4eyoA:
undetectable
3ucbB-4eyoA:
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.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Burkholderia
vietnamiensis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
4 PRO A 144
MET A  78
GLY A 122
PRO A 121
None
1.35A 3ucbB-4f32A:
undetectable
3ucbB-4f32A:
12.85
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.
4gj4 SOLUBLE GUANYLYL
CYCLASE ALPHA-1
SUBUNIT


(Manduca sexta)
PF07701
(HNOBA)
4 PRO A 348
MET A 350
LYS A 368
GLY A 384
None
0.82A 3ucbB-4gj4A:
undetectable
3ucbB-4gj4A:
23.01
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14


(Thermus
thermophilus)
PF00361
(Proton_antipo_M)
4 PRO N 304
ARG N 392
GLY N 394
PRO N 395
None
1.12A 3ucbB-4heaN:
undetectable
3ucbB-4heaN:
13.75
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN


(Ruegeria sp.
TM1040)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 TRP A 119
LYS A 128
GLY A 407
PRO A 406
None
1.40A 3ucbB-4ip4A:
undetectable
3ucbB-4ip4A:
13.81
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.
4nao PUTATIVE OXYGENASE

(Claviceps
purpurea)
PF05721
(PhyH)
4 LYS A 226
ARG A 228
GLY A 132
PRO A 133
None
AKG  A 402 (-2.9A)
None
None
1.30A 3ucbB-4naoA:
undetectable
3ucbB-4naoA:
17.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 TRP A  42
PRO A  44
GLY A  78
PRO A  79
None
0.42A 3ucbB-4njvA:
20.0
3ucbB-4njvA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 TRP A  42
PRO A  44
MET A  46
GLY A  78
None
0.57A 3ucbB-4njvA:
20.0
3ucbB-4njvA:
79.80
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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A)
PF00680
(RdRP_1)
4 PRO A 393
ARG A 392
GLY A 388
PRO A 389
None
1.09A 3ucbB-4nz0A:
undetectable
3ucbB-4nz0A:
13.08
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.
4ol9 PUTATIVE
2-DEHYDROPANTOATE
2-REDUCTASE


(Mycobacterium
tuberculosis)
PF02558
(ApbA)
PF08546
(ApbA_C)
4 TRP A 259
PRO A 285
GLY A 293
PRO A 294
None
1.30A 3ucbB-4ol9A:
undetectable
3ucbB-4ol9A:
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.
4q6u UNCHARACTERIZED
PROTEIN


(Mycobacterium
tuberculosis)
no annotation 4 MET A   1
ARG A  66
GLY A  88
PRO A  89
None
1.02A 3ucbB-4q6uA:
undetectable
3ucbB-4q6uA:
14.94
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.
4rjz ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (SUGAR)


(Agrobacterium
fabrum)
PF01547
(SBP_bac_1)
4 PRO A 203
ARG A 367
GLY A 368
PRO A 369
None
0.94A 3ucbB-4rjzA:
undetectable
3ucbB-4rjzA:
15.82
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.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE


(Streptococcus
agalactiae)
PF01048
(PNP_UDP_1)
4 PRO A  44
MET A  86
ARG A  46
GLY A 111
None
None
None
SO4  A 301 (-3.6A)
1.36A 3ucbB-4tymA:
undetectable
3ucbB-4tymA:
17.14
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa)
PF00144
(Beta-lactamase)
4 PRO A 304
ARG A 359
GLY A 358
PRO A 357
None
1.34A 3ucbB-4x68A:
undetectable
3ucbB-4x68A:
14.66
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE


(Acidovorax sp.
MR-S7)
PF01804
(Penicil_amidase)
4 TRP C 248
ARG C 152
GLY C 129
PRO C 130
None
1.30A 3ucbB-4yfaC:
undetectable
3ucbB-4yfaC:
9.29
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.
5ay7 XYLANASE

(Aegilops
speltoides)
PF00331
(Glyco_hydro_10)
4 PRO A 312
ARG A 247
GLY A 219
PRO A 220
None
0.93A 3ucbB-5ay7A:
undetectable
3ucbB-5ay7A:
13.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 TRP A  42
PRO A  44
LYS A  55
GLY A  78
PRO A  79
None
0.73A 3ucbB-5b18A:
18.0
3ucbB-5b18A:
73.74
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE


(Acidovorax sp.
MR-S7)
PF01804
(Penicil_amidase)
4 TRP A 450
ARG A 354
GLY A 331
PRO A 332
None
1.35A 3ucbB-5c9iA:
undetectable
3ucbB-5c9iA:
6.67
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT


(Azospira oryzae)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
4 MET A 779
ARG A 784
GLY A 786
PRO A 787
None
1.30A 3ucbB-5chcA:
undetectable
3ucbB-5chcA:
7.89
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.
5fwj HISTONE DEMETHYLASE
JARID1C


(Homo sapiens)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
4 PRO A  36
LYS A  40
GLY A  42
PRO A 538
None
1.07A 3ucbB-5fwjA:
undetectable
3ucbB-5fwjA:
11.16
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.
5gll GLYCOSIDE HYDROLASE
FAMILY 43


(uncultured
bacterium)
PF04616
(Glyco_hydro_43)
4 PRO A  48
ARG A  42
GLY A 103
PRO A 102
None
1.34A 3ucbB-5gllA:
undetectable
3ucbB-5gllA:
15.96
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.
5h71 ALGQ2

(Sphingomonas
sp.)
PF01547
(SBP_bac_1)
4 TRP A 390
ARG A 342
GLY A 341
PRO A 340
None
1.03A 3ucbB-5h71A:
undetectable
3ucbB-5h71A:
13.31
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.
5h7k ELONGATION FACTOR 2

(Pyrococcus
horikoshii)
no annotation 4 PRO A 347
MET A 345
ARG A 349
GLY A 342
None
1.16A 3ucbB-5h7kA:
undetectable
3ucbB-5h7kA:
22.00
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT


(Aromatoleum
aromaticum)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N)
4 TRP B 336
PRO B 132
GLY B  89
PRO B  90
None
1.29A 3ucbB-5l9wB:
undetectable
3ucbB-5l9wB:
8.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 TRP A  42
PRO A  44
ARG A  57
GLY A  78
PRO A  79
None
0.27A 3ucbB-5t2zA:
20.7
3ucbB-5t2zA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 TRP A  42
PRO A  44
LYS A  55
ARG A  57
None
0.65A 3ucbB-5t2zA:
20.7
3ucbB-5t2zA:
77.78
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE


(Brucella canis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 PRO A 120
MET A 201
ARG A 133
GLY A 214
None
1.16A 3ucbB-5u2aA:
undetectable
3ucbB-5u2aA:
12.53
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ


(Pseudomonas
aeruginosa)
PF01804
(Penicil_amidase)
4 TRP A 239
ARG A 149
GLY A 129
PRO A 130
None
1.14A 3ucbB-5ubkA:
undetectable
3ucbB-5ubkA:
14.49
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.
5uhd DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA


(Mycobacterium
tuberculosis)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
4 PRO A  67
LYS A 131
GLY A 101
PRO A 102
None
1.27A 3ucbB-5uhdA:
undetectable
3ucbB-5uhdA:
14.70
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.
5wg6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,POLYCOMB
PROTEIN SUZ12
(E.C.2.1.1.43)
CHIMERA


(Homo sapiens)
no annotation 4 TRP A 113
PRO A 115
ARG A 685
GLY A 643
None
None
A9G  A9009 (-3.1A)
None
1.39A 3ucbB-5wg6A:
undetectable
3ucbB-5wg6A:
16.16
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.
5xd2 NUDIX FAMILY PROTEIN

(Mycolicibacterium
smegmatis)
PF00293
(NUDIX)
PF00300
(His_Phos_1)
4 PRO A 276
ARG A 169
GLY A 298
PRO A 318
None
ATP  A 402 (-3.7A)
None
None
1.38A 3ucbB-5xd2A:
undetectable
3ucbB-5xd2A:
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus)
no annotation 4 TRP A 225
PRO A 227
ARG A  57
GLY A 127
None
1.00A 3ucbB-5ywpA:
undetectable
3ucbB-5ywpA:
20.62
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.
6c80 CYTOKININ OXIDASE
LUCKX1.1


(Linum
usitatissimum)
no annotation 4 PRO A 163
ARG A 164
GLY A 191
PRO A 192
None
1.25A 3ucbB-6c80A:
undetectable
3ucbB-6c80A:
18.48