SIMILAR PATTERNS OF AMINO ACIDS FOR 1GRM_B_DVAB6

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.
1a99 PUTRESCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		3 ALA A 188
VAL A 190
TRP A 160
 None
 0.92A 1grmB-1a99A:
undetectable		 1grmB-1a99A:
6.00
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.
1aa0 FIBRITIN

(Escherichia
virus T4) 		PF07921
(Fibritin_C) 		3 ALA A 468
VAL A 477
TRP A 476
 None
 0.87A 1grmB-1aa0A:
undetectable		 1grmB-1aa0A:
8.11
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.
1abr ABRIN-A

(Abrus
precatorius) 		PF00652
(Ricin_B_lectin) 		3 ALA B 109
VAL B 111
TRP B  98
 None
None
NDG  B 268 (-4.0A)
 0.83A 1grmB-1abrB:
undetectable		 1grmB-1abrB:
4.15
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.
1avy FIBRITIN

(Escherichia
virus T4) 		PF07921
(Fibritin_C) 		3 ALA A 468
VAL A 477
TRP A 476
 None
 0.92A 1grmB-1avyA:
undetectable		 1grmB-1avyA:
12.33
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.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 ALA B 294
VAL B 339
TRP B 342
 None
 0.94A 1grmB-1bplB:
undetectable		 1grmB-1bplB:
5.35
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.
1bwu PROTEIN (AGGLUTININ)

(Allium sativum) 		PF01453
(B_lectin) 		3 ALA Q  55
VAL Q  64
TRP Q  74
 None
 0.85A 1grmB-1bwuQ:
undetectable		 1grmB-1bwuQ:
12.64
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 ALA A 294
VAL A 339
TRP A 342
 None
 0.90A 1grmB-1e43A:
undetectable		 1grmB-1e43A:
4.90
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.
1hzv NITRITE REDUCTASE

(Pseudomonas
aeruginosa) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		3 ALA A 349
VAL A 362
TRP A 410
 None
 0.86A 1grmB-1hzvA:
undetectable		 1grmB-1hzvA:
4.44
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.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		3 ALA A 170
VAL A 172
TRP A 101
 None
 0.90A 1grmB-1ikpA:
undetectable		 1grmB-1ikpA:
8.94
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		3 ALA A  76
VAL A 161
TRP A 166
 None
 0.92A 1grmB-1itxA:
undetectable		 1grmB-1itxA:
3.49
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.
1n4k INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		3 ALA A 429
VAL A 399
TRP A 398
 None
 0.96A 1grmB-1n4kA:
undetectable		 1grmB-1n4kA:
3.97
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.
1nay COLLAGEN-LIKE
PEPTIDE

(Escherichia
coli) 		PF07921
(Fibritin_C) 		3 ALA A 146
VAL A 155
TRP A 154
 None
 0.90A 1grmB-1nayA:
undetectable		 1grmB-1nayA:
10.71
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		3 ALA A  74
VAL A  72
TRP A  56
 None
 0.89A 1grmB-1npcA:
undetectable		 1grmB-1npcA:
2.21
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.
1ox3 FIBRITIN

(Escherichia
virus T4) 		PF07921
(Fibritin_C) 		3 ALA A  94
VAL A 103
TRP A 102
 None
 0.89A 1grmB-1ox3A:
undetectable		 1grmB-1ox3A:
7.55
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		3 ALA A 426
VAL A 428
TRP A 431
 None
 0.89A 1grmB-1qleA:
undetectable		 1grmB-1qleA:
3.58
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.
1rfo WHISKER ANTIGEN
CONTROL PROTEIN

(Escherichia
virus T4) 		PF07921
(Fibritin_C) 		3 ALA A  12
VAL A  21
TRP A  20
 None
 0.75A 1grmB-1rfoA:
undetectable		 1grmB-1rfoA:
18.52
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.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		3 ALA A 129
VAL A 123
TRP A  51
 None
 0.96A 1grmB-1sfrA:
undetectable		 1grmB-1sfrA:
6.90
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.
1sq4 GLYOXYLATE-INDUCED
PROTEIN

(Pseudomonas
aeruginosa) 		PF07883
(Cupin_2) 		3 ALA A 223
VAL A 232
TRP A 231
 None
 0.84A 1grmB-1sq4A:
undetectable		 1grmB-1sq4A:
6.35
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.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		3 ALA A 189
VAL A  45
TRP A  36
 None
 0.95A 1grmB-1tisA:
undetectable		 1grmB-1tisA:
7.47
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 ALA A 294
VAL A 339
TRP A 342
 None
 0.96A 1grmB-1vjsA:
undetectable		 1grmB-1vjsA:
8.22
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.
1wde PROBABLE DIPHTHINE
SYNTHASE

(Aeropyrum
pernix) 		PF00590
(TP_methylase) 		3 ALA A  87
VAL A  38
TRP A  15
 None
 0.88A 1grmB-1wdeA:
undetectable		 1grmB-1wdeA:
4.80
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.
1whg TUBULIN SPECIFIC
CHAPERONE B

(Mus musculus) 		PF01302
(CAP_GLY) 		3 ALA A  96
VAL A  67
TRP A  66
 None
 0.90A 1grmB-1whgA:
undetectable		 1grmB-1whgA:
8.86
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.
1z47 PUTATIVE
ABC-TRANSPORTER
ATP-BINDING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		3 ALA A 267
VAL A 263
TRP A 350
 None
 0.85A 1grmB-1z47A:
undetectable		 1grmB-1z47A:
2.96
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.
2gen PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		3 ALA A 192
VAL A 190
TRP A 187
 None
 0.67A 1grmB-2genA:
undetectable		 1grmB-2genA:
8.43
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		3 ALA A 204
VAL A 173
TRP A 185
 None
 0.94A 1grmB-2gupA:
undetectable		 1grmB-2gupA:
5.29
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		3 ALA A  71
VAL A  91
TRP A  90
 None
 0.96A 1grmB-2i0kA:
undetectable		 1grmB-2i0kA:
2.51
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.
2ibl FIBRITIN

(Escherichia
virus T4;
Enterobacteria
phage Ox2) 		PF07921
(Fibritin_C) 		3 ALA A  94
VAL A 103
TRP A 102
 None
 0.87A 1grmB-2iblA:
undetectable		 1grmB-2iblA:
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.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		3 ALA A 119
VAL A 122
TRP A  20
 None
 0.82A 1grmB-2in3A:
undetectable		 1grmB-2in3A:
12.50
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.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 3 ALA A  86
VAL A  88
TRP A 352
 None
 0.90A 1grmB-2jdxA:
undetectable		 1grmB-2jdxA:
4.26
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.
2jrt UNCHARACTERIZED
PROTEIN

(Rhodobacter
sphaeroides) 		PF06627
(DUF1153) 		3 ALA A  39
VAL A  34
TRP A  33
 None
 0.95A 1grmB-2jrtA:
undetectable		 1grmB-2jrtA:
16.92
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.
2jzk CYANOVIRIN-N HOMOLOG

(Tuber borchii) 		PF08881
(CVNH) 		3 ALA A  21
VAL A  31
TRP A  30
 None
 0.59A 1grmB-2jzkA:
undetectable		 1grmB-2jzkA:
12.96
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.
2mgy TRANSLOCATOR PROTEIN

(Mus musculus) 		PF03073
(TspO_MBR) 		3 ALA A 110
VAL A 115
TRP A 143
 PKA  A 201 (-2.9A)
None
None
 0.94A 1grmB-2mgyA:
undetectable		 1grmB-2mgyA:
8.07
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.
2pbj PROSTAGLANDIN E
SYNTHASE 2

(Macaca
fascicularis) 		PF13417
(GST_N_3) 		3 ALA A 316
VAL A 318
TRP A 234
 None
 0.92A 1grmB-2pbjA:
undetectable		 1grmB-2pbjA:
5.80
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.
2pkh HISTIDINE
UTILIZATION
REPRESSOR

(Pseudomonas
syringae group
genomosp. 3) 		PF07702
(UTRA) 		3 ALA A 231
VAL A 229
TRP A 223
 None
 0.92A 1grmB-2pkhA:
undetectable		 1grmB-2pkhA:
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.
2re7 UNCHARACTERIZED
PROTEIN

(Psychrobacter
arcticus) 		PF16242
(Pyrid_ox_like) 		3 ALA A  87
VAL A 123
TRP A  49
 None
 0.96A 1grmB-2re7A:
undetectable		 1grmB-2re7A:
6.72
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.
2v72 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		3 ALA A  64
VAL A 106
TRP A  97
 None
 0.82A 1grmB-2v72A:
undetectable		 1grmB-2v72A:
4.90
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.
2v89 VDJ
RECOMBINATION-ACTIVA
TING PROTEIN 2

(Mus musculus) 		PF13341
(RAG2_PHD) 		3 ALA A1442
VAL A1454
TRP A1453
 None
 0.86A 1grmB-2v89A:
undetectable		 1grmB-2v89A:
13.33
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.
2vou 2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE

(Paenarthrobacter
nicotinovorans) 		PF00070
(Pyr_redox) 		3 ALA A 317
VAL A  50
TRP A  93
 FAD  A1395 ( 4.5A)
None
None
 0.77A 1grmB-2vouA:
undetectable		 1grmB-2vouA:
3.56
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		3 ALA A 246
VAL A 200
TRP A 227
 None
 0.88A 1grmB-2xdqA:
undetectable		 1grmB-2xdqA:
3.91
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		3 ALA A  74
VAL A  72
TRP A 191
 None
 0.63A 1grmB-2z1kA:
undetectable		 1grmB-2z1kA:
4.88
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		3 ALA A 163
VAL A 173
TRP A  99
 None
 0.95A 1grmB-2z2zA:
undetectable		 1grmB-2z2zA:
13.33
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.
3b0h NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 ALA A 245
VAL A 261
TRP A 225
 None
 0.95A 1grmB-3b0hA:
undetectable		 1grmB-3b0hA:
4.13
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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		3 ALA A 263
VAL A 258
TRP A  55
 None
 0.96A 1grmB-3czeA:
undetectable		 1grmB-3czeA:
2.43
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.
3czp PUTATIVE
POLYPHOSPHATE KINASE
2

(Pseudomonas
aeruginosa) 		PF03976
(PPK2) 		3 ALA A 450
VAL A 448
TRP A 408
 None
 0.89A 1grmB-3czpA:
undetectable		 1grmB-3czpA:
3.23
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.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		3 ALA A  81
VAL A  60
TRP A 157
 None
 0.92A 1grmB-3fqdA:
undetectable		 1grmB-3fqdA:
2.04
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.
3hnu CYANOVIRIN-N-LIKE
PROTEIN

(Neurospora
crassa;
Tuber borchii) 		PF08881
(CVNH) 		3 ALA X  21
VAL X  31
TRP X  30
 None
 0.76A 1grmB-3hnuX:
undetectable		 1grmB-3hnuX:
12.96
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.
3ift GLYCINE CLEAVAGE
SYSTEM H PROTEIN

(Mycobacterium
tuberculosis) 		PF01597
(GCV_H) 		3 ALA A  99
VAL A  92
TRP A  16
 None
 0.93A 1grmB-3iftA:
undetectable		 1grmB-3iftA:
10.19
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.
3kbe SUPEROXIDE DISMUTASE
[CU-ZN]

(Caenorhabditis
elegans) 		PF00080
(Sod_Cu) 		3 ALA A 152
VAL A   7
TRP A  18
 None
 0.96A 1grmB-3kbeA:
undetectable		 1grmB-3kbeA:
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.
3nqp SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 ALA A 124
VAL A 126
TRP A  42
 None
 0.89A 1grmB-3nqpA:
undetectable		 1grmB-3nqpA:
6.22
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.
3org CMCLC

(Cyanidioschyzon
merolae) 		PF00654
(Voltage_CLC) 		3 ALA A 246
VAL A 283
TRP A 280
 None
 0.95A 1grmB-3orgA:
undetectable		 1grmB-3orgA:
3.94
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.
3skd PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB187

(Thermus
thermophilus) 		no annotation 3 ALA A  80
VAL A  77
TRP A 161
 None
 0.95A 1grmB-3skdA:
undetectable		 1grmB-3skdA:
6.21
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.
3t8s INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		3 ALA A 429
VAL A 399
TRP A 398
 None
 0.87A 1grmB-3t8sA:
undetectable		 1grmB-3t8sA:
3.41
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.
3t9w SMALL LACCASE,
MULTI-COPPER OXIDASE

(Amycolatopsis
sp. ATCC 39116) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ALA A 138
VAL A 166
TRP A  70
 None
 0.96A 1grmB-3t9wA:
undetectable		 1grmB-3t9wA:
5.16
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.
3vly NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 ALA A 245
VAL A 261
TRP A 225
 None
 0.93A 1grmB-3vlyA:
undetectable		 1grmB-3vlyA:
3.99
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		3 ALA A 169
VAL A 210
TRP A 228
 None
 0.80A 1grmB-3zmrA:
undetectable		 1grmB-3zmrA:
2.82
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.
4awd BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 3 ALA A 313
VAL A  46
TRP A  45
 None
 0.91A 1grmB-4awdA:
undetectable		 1grmB-4awdA:
5.50
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		3 ALA A   5
VAL A  10
TRP A 386
 None
 0.95A 1grmB-4b3gA:
undetectable		 1grmB-4b3gA:
3.57
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.
4cnl PUTATIVE
PNEUMOCOCCAL SURFACE
PROTEIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		3 ALA A 222
VAL A 215
TRP A 214
 None
None
CHT  A1275 (-3.5A)
 0.93A 1grmB-4cnlA:
undetectable		 1grmB-4cnlA:
4.52
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.
4cyl EFF-1A

(Caenorhabditis
elegans) 		PF14884
(EFF-AFF) 		3 ALA A 195
VAL A 204
TRP A 203
 None
 0.94A 1grmB-4cylA:
undetectable		 1grmB-4cylA:
2.03
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.
4euo ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (POLYAMINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		3 ALA A  67
VAL A  74
TRP A  76
 None
 0.95A 1grmB-4euoA:
undetectable		 1grmB-4euoA:
6.36
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.
4giw RUN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02759
(RUN) 		3 ALA A  89
VAL A  91
TRP A 136
 None
 0.96A 1grmB-4giwA:
undetectable		 1grmB-4giwA:
7.30
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.
4ipe TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		3 ALA A 480
VAL A 475
TRP A 398
 None
 0.96A 1grmB-4ipeA:
undetectable		 1grmB-4ipeA:
3.29
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.
4lmh EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT OMCA

(Shewanella
oneidensis) 		no annotation 3 ALA A 710
VAL A 712
TRP A 673
 None
 0.90A 1grmB-4lmhA:
undetectable		 1grmB-4lmhA:
2.22
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.
4ly4 PEPTIDOGLYCAN
DEACETYLASE

(Helicobacter
pylori) 		PF01522
(Polysacc_deac_1) 		3 ALA A  57
VAL A 276
TRP A 275
 None
 0.42A 1grmB-4ly4A:
undetectable		 1grmB-4ly4A:
11.90
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.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		3 ALA A 489
VAL A 350
TRP A 336
 None
 0.74A 1grmB-4p1cA:
undetectable		 1grmB-4p1cA:
4.91
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.
4pob THIOREDOXIN

(Mycobacteroides
abscessus) 		PF00085
(Thioredoxin) 		3 ALA A  64
VAL A  62
TRP A  30
 None
 0.90A 1grmB-4pobA:
undetectable		 1grmB-4pobA:
29.41
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.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		3 ALA A 203
VAL A 205
TRP A  39
 None
 0.91A 1grmB-4qlaA:
undetectable		 1grmB-4qlaA:
4.30
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.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ALA A 367
VAL A  16
TRP A  15
 None
 0.87A 1grmB-4qn3A:
undetectable		 1grmB-4qn3A:
5.26
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.
4r03 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12930
(DUF3836) 		3 ALA A  76
VAL A  87
TRP A  86
 None
None
PO4  A 203 (-3.9A)
 0.94A 1grmB-4r03A:
undetectable		 1grmB-4r03A:
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.
4r7y MINICHROMOSOME
MAINTENANCE PROTEIN
MCM, CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus;
Sulfolobus
solfataricus) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		3 ALA A1731
VAL A1742
TRP A1741
 None
 0.81A 1grmB-4r7yA:
undetectable		 1grmB-4r7yA:
3.11
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.
4rgq GLYCEROL-1-PHOSPHATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF13685
(Fe-ADH_2) 		3 ALA A 221
VAL A 156
TRP A 159
 K  A 402 ( 3.6A)
None
None
 0.83A 1grmB-4rgqA:
undetectable		 1grmB-4rgqA:
3.22
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.
4rit PYRIDOXAL-DEPENDENT
DECARBOXYLASE

(Sphaerobacter
thermophilus) 		no annotation 3 ALA B 382
VAL B 453
TRP B 305
 None
 0.73A 1grmB-4ritB:
undetectable		 1grmB-4ritB:
3.50
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.
4uht TRANSCRIPTIONAL
REGULATORY PROTEIN
CPXR

(Escherichia
coli) 		PF00486
(Trans_reg_C) 		3 ALA A 169
VAL A 229
TRP A 217
 None
 0.94A 1grmB-4uhtA:
undetectable		 1grmB-4uhtA:
12.05
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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		3 ALA A 116
VAL A 111
TRP A 108
 None
 0.88A 1grmB-4weoA:
undetectable		 1grmB-4weoA:
12.63
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.
4wq5 TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN TSAB

(Escherichia
coli) 		PF00814
(Peptidase_M22) 		3 ALA C 113
VAL C 161
TRP C 160
 None
 0.84A 1grmB-4wq5C:
undetectable		 1grmB-4wq5C:
7.69
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.
4wr3 ALANINE RACEMASE,
BIOSYNTHETIC

(Escherichia
coli) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		3 ALA A   4
VAL A   6
TRP A 325
 None
 0.94A 1grmB-4wr3A:
undetectable		 1grmB-4wr3A:
4.36
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.
4xxp PUTATIVE
UNCHARACTERIZED
PROTEIN (RV0315
ORTHOLOG)

(Mycobacterium
avium) 		PF00722
(Glyco_hydro_16) 		3 ALA A 174
VAL A 162
TRP A 200
 None
 0.90A 1grmB-4xxpA:
undetectable		 1grmB-4xxpA:
7.64
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.
4z36 LYSOPHOSPHATIDIC
ACID RECEPTOR
1,SOLUBLE CYTOCHROME
B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		3 ALA A 134
VAL A 136
TRP A 271
 None
 0.95A 1grmB-4z36A:
undetectable		 1grmB-4z36A:
3.23
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		3 ALA C 133
VAL C  78
TRP C 440
 None
 0.96A 1grmB-4z42C:
undetectable		 1grmB-4z42C:
3.40
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		3 ALA A  73
VAL A  71
TRP A  55
 None
 0.82A 1grmB-5a3yA:
undetectable		 1grmB-5a3yA:
4.46
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.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		3 ALA A 229
VAL A 231
TRP A 384
 None
 0.95A 1grmB-5b25A:
undetectable		 1grmB-5b25A:
3.95
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.
5ez3 ACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		3 ALA A 149
VAL A 303
TRP A 433
 None
None
MRD  A 601 ( 3.2A)
 0.91A 1grmB-5ez3A:
undetectable		 1grmB-5ez3A:
2.53
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		3 ALA A  73
VAL A  71
TRP A  55
 None
 0.80A 1grmB-5fxnA:
undetectable		 1grmB-5fxnA:
5.52
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.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN

(Snake
atadenovirus A) 		PF01696
(Adeno_E1B_55K) 		3 ALA A 180
VAL A 204
TRP A 209
 None
 0.86A 1grmB-5g5nA:
undetectable		 1grmB-5g5nA:
5.15
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		3 ALA A 670
VAL A 666
TRP A 685
 None
 0.78A 1grmB-5kdxA:
undetectable		 1grmB-5kdxA:
3.40
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.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 ALA B  91
VAL B  89
TRP B  83
 None
PEG  B 803 (-4.0A)
None
 0.93A 1grmB-5ldrB:
undetectable		 1grmB-5ldrB:
6.07
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.
5mrj BETA-XYLANASE

(Acremonium
chrysogenum) 		no annotation 3 ALA A 204
VAL A 202
TRP A 216
 None
 0.93A 1grmB-5mrjA:
undetectable		 1grmB-5mrjA:
undetectable
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.
5nf4 MINOR FIMBRIUM TIP
SUBUNIT MFA3

(Porphyromonas
gingivalis) 		no annotation 3 ALA A 240
VAL A 238
TRP A 244
 None
 0.70A 1grmB-5nf4A:
undetectable		 1grmB-5nf4A:
undetectable
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116) 		no annotation 3 ALA A 297
VAL A  47
TRP A 393
 None
 0.87A 1grmB-5omsA:
undetectable		 1grmB-5omsA:
undetectable
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.
5tdg FUSION GLYCOPROTEIN
F0,FIBRITIN

(Bovine
orthopneumovirus;
Enterobacteria
phage T4 sensu
lato) 		PF00523
(Fusion_gly)
PF07921
(Fibritin_C) 		3 ALA A 529
VAL A 538
TRP A 537
 None
 0.78A 1grmB-5tdgA:
undetectable		 1grmB-5tdgA:
2.61
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.
5tkf LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		3 ALA A 101
VAL A 104
TRP A 108
 None
 0.96A 1grmB-5tkfA:
undetectable		 1grmB-5tkfA:
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.
5tth C-TERMINAL
SPYCATCHER FUSION OF
WILDTYPE ZEBRAFISH
TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Streptococcus
pyogenes;
Danio rerio) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		3 ALA A 480
VAL A 475
TRP A 398
 None
 0.97A 1grmB-5tthA:
undetectable		 1grmB-5tthA:
3.29
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.
5v2m MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Enterococcus
faecalis) 		no annotation 3 ALA A 249
VAL A 199
TRP A  18
 None
 0.77A 1grmB-5v2mA:
undetectable		 1grmB-5v2mA:
4.23
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.
5vlq LOC100158544 PROTEIN

(Xenopus
tropicalis) 		PF03133
(TTL) 		3 ALA A  30
VAL A  48
TRP A  47
 None
 0.97A 1grmB-5vlqA:
undetectable		 1grmB-5vlqA:
3.21
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.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1

(Homo sapiens) 		PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3) 		3 ALA A 594
VAL A 599
TRP A  69
 None
 0.93A 1grmB-5xjyA:
undetectable		 1grmB-5xjyA:
1.21
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.
5xlm SERINE/THREONINE-PRO
TEIN KINASE PKNI

(Mycobacterium
tuberculosis) 		no annotation 3 ALA A 403
VAL A 405
TRP A 480
 None
 0.90A 1grmB-5xlmA:
undetectable		 1grmB-5xlmA:
undetectable
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 3 ALA A 188
VAL A 155
TRP A 153
 None
 0.66A 1grmB-6fbtA:
undetectable		 1grmB-6fbtA:
undetectable
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.
6fhs INO80

(Chaetomium
thermophilum) 		no annotation 3 ALA G1420
VAL G1418
TRP G1415
 None
 0.80A 1grmB-6fhsG:
undetectable		 1grmB-6fhsG:
undetectable
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.
6fml INO80

(Chaetomium
thermophilum) 		no annotation 3 ALA G1420
VAL G1418
TRP G1415
 None
 0.81A 1grmB-6fmlG:
undetectable		 1grmB-6fmlG:
undetectable
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.
6gdr -

(-) 		no annotation 3 ALA A 216
VAL A 268
TRP A 267
 None
 0.86A 1grmB-6gdrA:
undetectable		 1grmB-6gdrA:
undetectable