SIMILAR PATTERNS OF AMINO ACIDS FOR 2HS2_B_017B203

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.
1ash HEMOGLOBIN (OXY)

(Ascaris suum)
PF00042
(Globin)
4 PRO A  59
LYS A  63
ARG A  23
GLY A  26
None
1.25A 2hs2B-1ashA:
undetectable
2hs2B-1ashA:
17.53
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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)


(Escherichia
coli)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 PRO A  74
LEU A  70
ARG A  93
GLY A 147
None
1.22A 2hs2B-1fcpA:
0.0
2hs2B-1fcpA:
7.57
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.
1g38 MODIFICATION
METHYLASE TAQI


(Thermus
aquaticus)
PF07669
(Eco57I)
PF12950
(TaqI_C)
4 TRP A  82
LEU A 101
ARG A  58
GLY A  64
None
1.22A 2hs2B-1g38A:
0.0
2hs2B-1g38A:
12.53
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)
4 TRP A  42
PRO A  44
LYS A  55
ARG A  57
None
1.12A 2hs2B-1hvcA:
14.1
2hs2B-1hvcA:
46.31
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)
4 TRP A  42
PRO A  44
LYS A  55
GLY A  78
None
0.45A 2hs2B-1hvcA:
14.1
2hs2B-1hvcA:
46.31
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.
1i2l 4-AMINO-4-DEOXYCHORI
SMATE LYASE


(Escherichia
coli)
PF01063
(Aminotran_4)
4 PRO A 127
LEU A 149
ARG A 129
GLY A 131
None
1.00A 2hs2B-1i2lA:
undetectable
2hs2B-1i2lA:
17.69
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.
1ofm CHONDROITINASE B

(Pedobacter
heparinus)
PF14592
(Chondroitinas_B)
4 TRP A 113
LEU A  59
ARG A 108
GLY A  85
None
1.23A 2hs2B-1ofmA:
undetectable
2hs2B-1ofmA:
11.46
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE


(Rhodobacter
sphaeroides)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
4 PRO A 674
LEU A 671
ARG A 353
GLY A 354
None
1.15A 2hs2B-1ogyA:
0.0
2hs2B-1ogyA:
8.33
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.
1pbk FKBP25

(Homo sapiens)
PF00254
(FKBP_C)
4 TRP A 196
LEU A 179
ARG A 173
GLY A 169
None
None
None
RAP  A 225 (-3.8A)
1.21A 2hs2B-1pbkA:
undetectable
2hs2B-1pbkA:
21.37
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.
1px8 BETA-XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum)
PF01229
(Glyco_hydro_39)
4 TRP A 167
PRO A 123
LEU A 107
GLY A 101
None
0.95A 2hs2B-1px8A:
undetectable
2hs2B-1px8A:
11.76
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.
1rqb TRANSCARBOXYLASE 5S
SUBUNIT


(Propionibacterium
freudenreichii)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
4 PRO A  72
LEU A  68
ARG A 456
GLY A 459
None
1.21A 2hs2B-1rqbA:
undetectable
2hs2B-1rqbA:
11.62
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.
1whn HYPOTHETICAL PROTEIN
RIKEN CDNA
2310016K04


(Mus musculus)
PF00035
(dsrm)
4 PRO A 437
LEU A 431
ARG A 440
GLY A 442
None
1.05A 2hs2B-1whnA:
undetectable
2hs2B-1whnA:
21.10
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus)
PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C)
4 PRO A 355
LEU A 348
ARG A 437
GLY A 524
None
1.25A 2hs2B-1x87A:
undetectable
2hs2B-1x87A:
11.59
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.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 PRO A 312
LEU A 326
ARG A 310
GLY A 308
None
1.21A 2hs2B-1xfcA:
undetectable
2hs2B-1xfcA:
14.14
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae)
PF01593
(Amino_oxidase)
4 TRP A 179
PRO A 165
LEU A 115
ARG A 169
None
1.09A 2hs2B-1yy5A:
undetectable
2hs2B-1yy5A:
10.52
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.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus)
PF01229
(Glyco_hydro_39)
4 TRP A 167
PRO A 123
LEU A 107
GLY A 101
None
0.98A 2hs2B-2bs9A:
undetectable
2hs2B-2bs9A:
13.43
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.
2dup VESICULAR
INTEGRAL-MEMBRANE
PROTEIN VIP36


(Canis lupus)
PF03388
(Lectin_leg-like)
4 PRO A 294
LEU A 157
ARG A 246
GLY A 244
None
1.10A 2hs2B-2dupA:
undetectable
2hs2B-2dupA:
19.22
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.
2ejv L-THREONINE
3-DEHYDROGENASE


(Thermus
thermophilus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 PRO A 199
LEU A 216
ARG A 201
GLY A 172
None
None
NAD  A1350 (-4.0A)
NAD  A1350 (-3.7A)
1.12A 2hs2B-2ejvA:
undetectable
2hs2B-2ejvA:
16.35
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
4 TRP A 301
LEU A 191
ARG A 217
GLY A 196
None
1.04A 2hs2B-2exhA:
undetectable
2hs2B-2exhA:
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.
2gou OXIDOREDUCTASE,
FMN-BINDING


(Shewanella
oneidensis)
PF00724
(Oxidored_FMN)
4 PRO A 332
LEU A   5
ARG A 334
GLY A 338
None
1.05A 2hs2B-2gouA:
undetectable
2hs2B-2gouA:
12.60
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.
2i88 COLICIN-E1

(Escherichia
coli)
PF01024
(Colicin)
4 LEU A 452
LYS A 455
ARG A 409
GLY A 458
None
1.13A 2hs2B-2i88A:
undetectable
2hs2B-2i88A:
18.85
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN


(Pseudomonas
stutzeri)
PF02332
(Phenol_Hydrox)
PF04945
(YHS)
4 TRP A 451
PRO A 453
LEU A 395
GLY A 460
None
0.83A 2hs2B-2inpA:
undetectable
2hs2B-2inpA:
11.88
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.
2izw RYEGRASS MOTTLE
VIRUS COAT PROTEIN


(Ryegrass mottle
virus)
PF00729
(Viral_coat)
4 PRO A 180
LEU A 183
LYS A 110
ARG A 112
None
1.05A 2hs2B-2izwA:
undetectable
2hs2B-2izwA:
20.29
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.
2j13 POLYSACCHARIDE
DEACETYLASE


(Bacillus
anthracis)
PF01522
(Polysacc_deac_1)
4 PRO A 143
LEU A 122
ARG A 142
GLY A 101
None
1.18A 2hs2B-2j13A:
undetectable
2hs2B-2j13A:
17.81
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.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM


(Homo sapiens)
PF00149
(Metallophos)
4 PRO C 203
LEU C 170
ARG C 214
GLY C 217
None
1.04A 2hs2B-2nymC:
undetectable
2hs2B-2nymC:
15.09
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.
2o1s 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE


(Escherichia
coli)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N)
4 TRP A 618
PRO A 581
LEU A 573
GLY A 566
None
1.14A 2hs2B-2o1sA:
undetectable
2hs2B-2o1sA:
11.04
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.
2or0 HYDROXYLASE

(Rhodococcus
jostii)
PF08028
(Acyl-CoA_dh_2)
4 TRP A 100
PRO A  47
LEU A 224
GLY A  82
None
1.17A 2hs2B-2or0A:
undetectable
2hs2B-2or0A:
14.25
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.
2pfe ALKALINE SERINE
PROTEASE


(Thermobifida
fusca)
PF00089
(Trypsin)
4 TRP A 157
LEU A 120
ARG A 120
GLY A 120
None
1.16A 2hs2B-2pfeA:
undetectable
2hs2B-2pfeA:
17.19
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.
2r14 MORPHINONE REDUCTASE

(Pseudomonas
putida)
PF00724
(Oxidored_FMN)
4 PRO A 338
LEU A  11
ARG A 340
GLY A 344
None
0.99A 2hs2B-2r14A:
undetectable
2hs2B-2r14A:
14.08
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.
2r98 PUTATIVE
ACETYLGLUTAMATE
SYNTHASE


(Neisseria
gonorrhoeae)
PF00583
(Acetyltransf_1)
PF00696
(AA_kinase)
4 TRP A 398
LEU A 388
ARG A 402
GLY A 403
ACO  A   1 (-3.9A)
None
ACO  A   1 ( 4.0A)
None
1.24A 2hs2B-2r98A:
undetectable
2hs2B-2r98A:
13.06
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 TRP A  42
PRO A  44
LYS A  55
GLY A  78
None
0.44A 2hs2B-2rkfA:
20.9
2hs2B-2rkfA:
82.83
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.
2rkq PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-SD


(Drosophila
melanogaster)
PF01510
(Amidase_2)
4 PRO A 101
LEU A 178
ARG A  95
GLY A 105
None
1.21A 2hs2B-2rkqA:
undetectable
2hs2B-2rkqA:
25.31
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.
2z84 UFM1-SPECIFIC
PROTEASE 1


(Mus musculus)
PF07910
(Peptidase_C78)
4 TRP A 179
LEU A  75
ARG A  49
GLY A  50
None
1.16A 2hs2B-2z84A:
undetectable
2hs2B-2z84A:
17.06
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.
2zkg E3 UBIQUITIN-PROTEIN
LIGASE UHRF1


(Mus musculus)
PF02182
(SAD_SRA)
4 PRO A 570
LEU A 506
ARG A 581
GLY A 485
None
0.98A 2hs2B-2zkgA:
undetectable
2hs2B-2zkgA:
19.78
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.
3beo UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE


(Bacillus
anthracis)
PF02350
(Epimerase_2)
4 PRO A 299
LEU A 301
LYS A 319
GLY A 312
None
1.05A 2hs2B-3beoA:
undetectable
2hs2B-3beoA:
13.90
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.
3g1u ADENOSYLHOMOCYSTEINA
SE


(Leishmania
major)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
4 PRO A 147
LEU A 145
ARG A 382
GLY A 151
None
1.15A 2hs2B-3g1uA:
undetectable
2hs2B-3g1uA:
14.42
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.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G


(Thermus
thermophilus)
PF02527
(GidB)
4 PRO A 197
LEU A 206
ARG A 201
GLY A 203
None
1.23A 2hs2B-3g8aA:
undetectable
2hs2B-3g8aA:
21.63
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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE


(Homo sapiens)
PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
4 PRO A 308
LEU A 312
ARG A 309
GLY A 320
None
1.24A 2hs2B-3higA:
undetectable
2hs2B-3higA:
8.79
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.
3il2 REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX


(Thermus
thermophilus)
PF02629
(CoA_binding)
PF06971
(Put_DNA-bind_N)
4 PRO A 134
LEU A 160
ARG A 136
GLY A 109
None
1.10A 2hs2B-3il2A:
undetectable
2hs2B-3il2A:
20.49
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.
3ipl 2-SUCCINYLBENZOATE--
COA LIGASE


(Staphylococcus
aureus)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 PRO A 324
LEU A 284
ARG A 323
GLY A 328
None
1.07A 2hs2B-3iplA:
undetectable
2hs2B-3iplA:
11.80
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME


(Mycobacterium
tuberculosis)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
4 PRO A 730
LEU A 674
ARG A 681
GLY A 701
None
1.08A 2hs2B-3k1dA:
undetectable
2hs2B-3k1dA:
9.09
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.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE


(Brucella
abortus)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
4 PRO A 335
LEU A 411
ARG A 336
GLY A 339
GOL  A 416 ( 4.8A)
None
None
GOL  A 416 (-4.5A)
1.21A 2hs2B-3k5pA:
undetectable
2hs2B-3k5pA:
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.
3kb5 TRIPARTITE
MOTIF-CONTAINING
PROTEIN 72


(Homo sapiens)
PF00622
(SPRY)
PF13765
(PRY)
4 PRO A 446
LEU A 424
ARG A 447
GLY A 343
None
1.21A 2hs2B-3kb5A:
undetectable
2hs2B-3kb5A:
18.92
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.
3kke LACI FAMILY
TRANSCRIPTIONAL
REGULATOR


(Mycolicibacterium
smegmatis)
PF13377
(Peripla_BP_3)
4 PRO A 270
LEU A 259
ARG A 268
GLY A 266
None
1.23A 2hs2B-3kkeA:
undetectable
2hs2B-3kkeA:
16.73
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN


(Homo sapiens)
PF03483
(B3_4)
PF03484
(B5)
4 LEU B 313
LYS B 316
ARG B 321
GLY B 319
None
1.03A 2hs2B-3l4gB:
undetectable
2hs2B-3l4gB:
11.73
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.
3m2t PROBABLE
DEHYDROGENASE


(Chromobacterium
violaceum)
PF01408
(GFO_IDH_MocA)
4 LEU A 184
LYS A 127
ARG A 133
GLY A 289
None
1.21A 2hs2B-3m2tA:
undetectable
2hs2B-3m2tA:
15.54
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.
3m65 ATP-DEPENDENT
PROTEASE LA 1


(Bacillus
subtilis)
PF02190
(LON_substr_bdg)
4 PRO A  13
LEU A  50
ARG A  15
GLY A  16
None
1.11A 2hs2B-3m65A:
undetectable
2hs2B-3m65A:
20.20
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)
4 TRP A  42
PRO A  44
ARG A  57
GLY A  78
None
0.23A 2hs2B-3mwsA:
20.1
2hs2B-3mwsA:
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.
3ot5 UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE


(Listeria
monocytogenes)
PF02350
(Epimerase_2)
4 PRO A 298
LEU A 300
LYS A 318
GLY A 311
None
0.93A 2hs2B-3ot5A:
undetectable
2hs2B-3ot5A:
14.96
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.
3plw RECOMBINATION
ENHANCEMENT FUNCTION
PROTEIN


(Escherichia
virus P1)
PF16786
(RecA_dep_nuc)
4 PRO A 147
LEU A 166
ARG A 143
GLY A 159
None
1.22A 2hs2B-3plwA:
undetectable
2hs2B-3plwA:
19.02
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 TRP A  42
PRO A  44
ARG A  57
GLY A  78
None
0.48A 2hs2B-3t3cA:
18.6
2hs2B-3t3cA:
73.74
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 TRP A  42
PRO A  44
LYS A  55
GLY A  78
None
0.45A 2hs2B-3ttpA:
19.6
2hs2B-3ttpA:
75.76
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
ARG A  57
GLY A  78
None
0.49A 2hs2B-3uhlA:
16.1
2hs2B-3uhlA:
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.
3vr5 V-TYPE SODIUM ATPASE
CATALYTIC SUBUNIT A
V-TYPE SODIUM ATPASE
SUBUNIT B


(Enterococcus
hirae)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
4 PRO A 355
LEU A 345
ARG A 339
GLY D 269
None
1.08A 2hs2B-3vr5A:
undetectable
2hs2B-3vr5A:
11.62
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.
3vr5 V-TYPE SODIUM ATPASE
CATALYTIC SUBUNIT A
V-TYPE SODIUM ATPASE
SUBUNIT B


(Enterococcus
hirae)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
4 PRO A 355
LEU A 345
ARG A 339
GLY D 275
None
1.02A 2hs2B-3vr5A:
undetectable
2hs2B-3vr5A:
11.62
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris)
PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N)
4 TRP A 320
LEU A 351
ARG A 392
GLY A 390
None
1.21A 2hs2B-3welA:
undetectable
2hs2B-3welA:
8.31
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.
3zif PENTON PROTEIN

(Bovine
mastadenovirus
B)
PF01686
(Adeno_Penton_B)
4 PRO M 353
LEU M  86
ARG M 443
GLY M 447
None
1.22A 2hs2B-3zifM:
undetectable
2hs2B-3zifM:
11.48
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.
3zt9 SERINE PHOSPHATASE

(Moorella
thermoacetica)
PF07228
(SpoIIE)
4 LEU A 175
LYS A 179
ARG A 183
GLY A 181
None
1.19A 2hs2B-3zt9A:
undetectable
2hs2B-3zt9A:
22.02
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2


(Homo sapiens)
PF13086
(AAA_11)
PF13087
(AAA_12)
4 PRO A 268
LEU A 280
ARG A 270
GLY A 354
None
None
A  G   8 ( 3.6A)
A  G   8 ( 4.3A)
0.94A 2hs2B-4b3gA:
undetectable
2hs2B-4b3gA:
9.49
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1


(Saccharomyces
cerevisiae)
PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N)
4 PRO A 485
LEU A 531
ARG A 488
GLY A 491
None
AU  A1749 (-3.7A)
None
None
1.22A 2hs2B-4b8bA:
undetectable
2hs2B-4b8bA:
11.17
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.
4eec STAL

(Streptomyces
toyocaensis)
PF00685
(Sulfotransfer_1)
4 PRO A 170
LEU A 174
ARG A 167
GLY A  14
None
None
None
A3P  A 301 (-3.4A)
1.22A 2hs2B-4eecA:
undetectable
2hs2B-4eecA:
17.90
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.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2


(Pseudomonas
phage phi12)
no annotation 4 PRO A 537
LEU A  84
ARG A 533
GLY A 552
None
1.24A 2hs2B-4iegA:
undetectable
2hs2B-4iegA:
10.13
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.
4jnh GAG POLYPROTEIN

(Simian foamy
virus)
PF03276
(Gag_spuma)
4 PRO A 103
LEU A 100
ARG A  50
GLY A  43
None
1.05A 2hs2B-4jnhA:
undetectable
2hs2B-4jnhA:
18.46
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.
4mj3 HALOALKANE
DEHALOGENASE


(Mycolicibacterium
rhodesiae)
PF00561
(Abhydrolase_1)
4 PRO A 151
LEU A 260
ARG A 131
GLY A 134
None
1.18A 2hs2B-4mj3A:
undetectable
2hs2B-4mj3A:
16.23
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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT


(Bos taurus)
PF00027
(cNMP_binding)
4 PRO A 351
LEU A 327
ARG A 355
GLY A 358
None
1.04A 2hs2B-4mx3A:
undetectable
2hs2B-4mx3A:
13.46
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.
4n4u PUTATIVE ABC
TRANSPORTER
PERIPLASMIC
SOLUTE-BINDING
PROTEIN


(Bordetella
bronchiseptica)
PF03480
(DctP)
4 TRP A  26
LEU A 233
ARG A  85
GLY A  82
None
1.13A 2hs2B-4n4uA:
undetectable
2hs2B-4n4uA:
14.29
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.
4nen INTEGRIN ALPHA-X

(Homo sapiens)
PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
4 LEU A 775
LYS A 902
ARG A 874
GLY A 872
None
0.95A 2hs2B-4nenA:
undetectable
2hs2B-4nenA:
10.40
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.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU


(Pseudomonas
fluorescens)
PF01734
(Patatin)
4 PRO A 163
LEU A 158
ARG A 164
GLY A 259
None
1.08A 2hs2B-4qmkA:
undetectable
2hs2B-4qmkA:
10.66
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.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE


(Aspergillus
fumigatus)
PF00724
(Oxidored_FMN)
4 PRO A 333
LEU A  10
ARG A 335
GLY A 339
None
1.15A 2hs2B-4qnwA:
undetectable
2hs2B-4qnwA:
14.86
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.
4uqg DNA POLYMERASE

(Geobacillus
stearothermophilus)
PF00476
(DNA_pol_A)
4 TRP A 872
LEU A 500
ARG A 637
GLY A 633
None
1.11A 2hs2B-4uqgA:
undetectable
2hs2B-4uqgA:
10.15
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.
4wvm STONUSTOXIN SUBUNIT
ALPHA


(Synanceia
horrida)
PF00622
(SPRY)
PF13765
(PRY)
4 LEU A 453
LYS A 454
ARG A 458
GLY A 489
None
1.25A 2hs2B-4wvmA:
undetectable
2hs2B-4wvmA:
9.50
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.
4xw3 ATP-DEPENDENT RNA
HELICASE DDX1


(Homo sapiens)
PF00622
(SPRY)
4 PRO A 229
LEU A 196
ARG A 123
GLY A 164
None
1.13A 2hs2B-4xw3A:
undetectable
2hs2B-4xw3A:
21.84
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.
4y7l TYPE VI SECRETION
PROTEIN ICMF


(Escherichia
coli)
PF06744
(IcmF_C)
4 TRP A1010
LEU A 994
ARG A 982
GLY A 984
None
1.07A 2hs2B-4y7lA:
undetectable
2hs2B-4y7lA:
18.70
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.
4z7l CAS6B

(Methanococcus
maripaludis)
PF17262
(DUF5328)
4 LEU A  62
LYS A  55
ARG A  24
GLY A  20
None
None
C  C  29 ( 4.1A)
None
1.20A 2hs2B-4z7lA:
undetectable
2hs2B-4z7lA:
18.57
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.
4z8w MAJOR POLLEN
ALLERGEN PLA L 1


(Plantago
lanceolata)
PF01190
(Pollen_Ole_e_I)
4 PRO A  66
LEU A  40
ARG A  64
GLY A  13
None
1.05A 2hs2B-4z8wA:
undetectable
2hs2B-4z8wA:
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.
4zn2 PSLG

(Pseudomonas
aeruginosa)
PF00150
(Cellulase)
4 TRP A 273
LEU A  78
ARG A 315
GLY A  48
None
1.08A 2hs2B-4zn2A:
undetectable
2hs2B-4zn2A:
13.47
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.
5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK


(Cupriavidus
necator)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
4 PRO A 134
LEU A 168
ARG A 175
GLY A 177
None
1.12A 2hs2B-5aa5A:
undetectable
2hs2B-5aa5A:
15.85
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)
4 TRP A  42
PRO A  44
LYS A  55
GLY A  78
None
0.76A 2hs2B-5b18A:
18.1
2hs2B-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.
5c0p ENDO-ARABINASE

(Bacteroides
thetaiotaomicron)
PF04616
(Glyco_hydro_43)
4 TRP A 157
LEU A 207
ARG A 178
GLY A 186
None
1.18A 2hs2B-5c0pA:
undetectable
2hs2B-5c0pA:
15.10
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.
5c92 KELCH
DOMAIN-CONTAINING
PROTEIN


(Colletotrichum
graminicola)
PF01344
(Kelch_1)
PF09118
(DUF1929)
4 PRO A 211
LEU A 214
LYS A 197
GLY A 193
None
1.01A 2hs2B-5c92A:
undetectable
2hs2B-5c92A:
10.48
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.
5dql ISOCITRATE LYASE 1

(Mycobacterium
tuberculosis)
PF00463
(ICL)
4 PRO A 201
LEU A 185
ARG A 207
GLY A 160
None
1.14A 2hs2B-5dqlA:
undetectable
2hs2B-5dqlA:
12.35
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.
5dwd ESTERASE

(Pelagibacterium
halotolerans)
PF02230
(Abhydrolase_2)
4 PRO A  48
LEU A 219
ARG A  44
GLY A  40
None
1.12A 2hs2B-5dwdA:
undetectable
2hs2B-5dwdA:
16.67
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.
5enz UDP-GLCNAC
2-EPIMERASE


(Staphylococcus
aureus)
PF02350
(Epimerase_2)
4 PRO A 295
LEU A 297
LYS A 315
GLY A 308
None
1.08A 2hs2B-5enzA:
undetectable
2hs2B-5enzA:
15.11
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31


(Trueperella
pyogenes)
PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
4 TRP A 607
PRO A 606
LEU A 562
GLY A 301
None
1.08A 2hs2B-5f7sA:
undetectable
2hs2B-5f7sA:
8.57
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.
5hon EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF13385
(Laminin_G_3)
4 PRO A 701
LEU A 828
ARG A 699
GLY A 697
None
1.26A 2hs2B-5honA:
undetectable
2hs2B-5honA:
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.
5hzv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN


(Escherichia
coli;
Homo sapiens)
PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8)
4 PRO A 858
LEU A 856
ARG A 929
GLY A 853
None
1.23A 2hs2B-5hzvA:
undetectable
2hs2B-5hzvA:
10.37
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.
5jjt SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5


(Arabidopsis
thaliana)
PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5)
PF13431
(TPR_17)
4 PRO A 375
LEU A 341
ARG A 386
GLY A 389
None
None
NI  A 503 ( 4.3A)
None
1.16A 2hs2B-5jjtA:
undetectable
2hs2B-5jjtA:
14.77
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.
5kjz CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT


(Homo sapiens)
PF00027
(cNMP_binding)
4 PRO A 353
LEU A 329
ARG A 357
GLY A 360
None
0.95A 2hs2B-5kjzA:
undetectable
2hs2B-5kjzA:
22.37
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA


(Methylobacillus
flagellatus)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
4 PRO C 543
LEU C 611
ARG C 542
GLY C 539
None
1.04A 2hs2B-5ks8C:
undetectable
2hs2B-5ks8C:
13.63
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.
5l3z POLYKETIDE
KETOREDUCTASE SIMC7


(Streptomyces
antibioticus)
PF13460
(NAD_binding_10)
4 PRO A  26
LEU A  20
ARG A  28
GLY A  29
None
1.06A 2hs2B-5l3zA:
undetectable
2hs2B-5l3zA:
17.17
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.
5l7n PLEXIN-A1

(Mus musculus)
PF01833
(TIG)
4 PRO A 907
LEU A 904
ARG A 879
GLY A 877
None
1.09A 2hs2B-5l7nA:
undetectable
2hs2B-5l7nA:
14.99
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.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)


(Agrobacterium
fabrum)
PF13416
(SBP_bac_8)
4 PRO A 196
LEU A 190
ARG A 197
GLY A 264
None
1.07A 2hs2B-5l9sA:
undetectable
2hs2B-5l9sA:
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.
5nx7 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus)
no annotation 4 PRO A  18
LEU A  61
ARG A  22
GLY A  64
None
None
NDS  A 406 (-4.0A)
NDS  A 406 (-3.3A)
0.95A 2hs2B-5nx7A:
undetectable
2hs2B-5nx7A:
15.20
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
LEU A  46
ARG A  57
GLY A  78
None
0.43A 2hs2B-5t2zA:
20.3
2hs2B-5t2zA:
81.82
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
LEU A  46
LYS A  55
ARG A  57
None
0.67A 2hs2B-5t2zA:
20.3
2hs2B-5t2zA:
81.82
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1


(Alicyclobacillus
acidoterrestris)
no annotation 4 TRP A 931
LEU A1108
ARG A 913
GLY A 955
None
1.10A 2hs2B-5u30A:
undetectable
2hs2B-5u30A:
6.03
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31


(Kribbella
flavida)
no annotation 4 TRP A 591
PRO A 590
LEU A 546
GLY A 285
GOL  A 814 (-4.4A)
None
None
None
1.13A 2hs2B-5x3jA:
undetectable
2hs2B-5x3jA:
19.44
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT


(Homo sapiens)
PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194)
4 PRO C 986
LEU C 970
ARG C1034
GLY C1030
None
1.18A 2hs2B-5y3rC:
undetectable
2hs2B-5y3rC:
2.37
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus)
no annotation 4 TRP A 225
PRO A 227
ARG A  57
GLY A 127
None
0.97A 2hs2B-5ywpA:
undetectable
2hs2B-5ywpA:
22.55
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.
6fq3 E3 UBIQUITIN-PROTEIN
LIGASE TRIM71


(Danio rerio)
no annotation 4 PRO A 706
LEU A 728
ARG A 707
GLY A 755
None
None
A  B   9 ( 2.9A)
None
1.22A 2hs2B-6fq3A:
undetectable
2hs2B-6fq3A:
18.75