SIMILAR PATTERNS OF AMINO ACIDS FOR 4GRK_A_KTRA713_1

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.
1ad0 ANTIBODY A5B7 (HEAVY
CHAIN)


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 THR B  82
GLY B  16
VAL B  12
PRO B  14
None
0.84A 4grkA-1ad0B:
undetectable
4grkA-1ad0B:
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.
1bfo CAMPATH-1G ANTIBODY

(Rattus rattus)
PF07654
(C1-set)
PF07686
(V-set)
4 THR B  87
GLY B  16
VAL B  12
PRO B  14
None
0.81A 4grkA-1bfoB:
undetectable
4grkA-1bfoB:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1biy LACTOFERRIN

(Bubalus bubalis)
PF00405
(Transferrin)
5 THR A 430
GLY A 432
VAL A 591
PRO A 593
TYR A 660
None
0.37A 4grkA-1biyA:
55.3
4grkA-1biyA:
91.06
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.
1cfz HYDROGENASE 2
MATURATION PROTEASE


(Escherichia
coli)
PF01750
(HycI)
4 THR A 133
GLY A  72
VAL A 119
PRO A 121
None
1.08A 4grkA-1cfzA:
0.6
4grkA-1cfzA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fl5 ANTIBODY GERMLINE
PRECURSOR TO
ANTIBODY 28B4


(Homo sapiens)
no annotation 4 THR H 822
GLY H  16
VAL H  12
PRO H  14
None
0.90A 4grkA-1fl5H:
0.0
4grkA-1fl5H:
20.59
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.
1jgu ANTIBODY HEAVY CHAIN

(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 THR H  82
GLY H  16
VAL H  12
PRO H  14
None
0.95A 4grkA-1jguH:
undetectable
4grkA-1jguH:
20.35
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.
1jhd SULFATE
ADENYLYLTRANSFERASE


(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2)
4 THR A 179
GLY A  50
PRO A  12
TYR A  16
None
1.05A 4grkA-1jhdA:
0.0
4grkA-1jhdA:
22.43
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
4 GLY A 486
VAL A 464
PRO A 462
TYR A 412
None
0.97A 4grkA-1kwgA:
0.0
4grkA-1kwgA:
19.12
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.
1mam IGG2B-KAPPA YST9.1
FAB (HEAVY CHAIN)


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 THR H  87
GLY H  16
VAL H  12
PRO H  14
None
0.85A 4grkA-1mamH:
undetectable
4grkA-1mamH:
20.41
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.
1n94 PROTEIN
FARNESYLTRANSFERASE
BETA SUBUNIT


(Rattus
norvegicus)
PF00432
(Prenyltrans)
4 THR B 153
GLY B 141
PRO B 148
TYR B 180
None
0.86A 4grkA-1n94B:
undetectable
4grkA-1n94B:
23.15
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.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae)
PF13354
(Beta-lactamase2)
4 THR A 149
GLY A 147
VAL A 142
PRO A 145
None
1.18A 4grkA-1n9bA:
undetectable
4grkA-1n9bA:
20.94
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.
1ocx MALTOSE
O-ACETYLTRANSFERASE


(Escherichia
coli)
PF12464
(Mac)
PF14602
(Hexapep_2)
4 THR A 149
GLY A 151
VAL A 154
PRO A 167
None
1.17A 4grkA-1ocxA:
undetectable
4grkA-1ocxA:
19.40
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.
1pv5 HYPOTHETICAL PROTEIN
YWQG


(Bacillus
subtilis)
PF09234
(DUF1963)
4 THR A 168
VAL A 153
PRO A 155
TYR A 183
None
1.08A 4grkA-1pv5A:
undetectable
4grkA-1pv5A:
19.33
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.
1qsa PROTEIN (SOLUBLE
LYTIC
TRANSGLYCOSYLASE
SLT70)


(Escherichia
coli)
PF01464
(SLT)
PF14718
(SLT_L)
4 GLY A 493
VAL A 485
PRO A 483
TYR A 453
None
1.16A 4grkA-1qsaA:
undetectable
4grkA-1qsaA:
20.99
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.
1rvk ISOMERASE/LACTONIZIN
G ENZYME


(Agrobacterium
fabrum)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 THR A 172
VAL A 177
PRO A 181
TYR A 211
None
1.14A 4grkA-1rvkA:
undetectable
4grkA-1rvkA:
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.
1wkc HB8 TT1367 PROTEIN

(Thermus
thermophilus)
PF01812
(5-FTHF_cyc-lig)
4 GLY A 140
VAL A 142
PRO A 109
TYR A 127
None
None
None
SO4  A 200 (-4.9A)
1.04A 4grkA-1wkcA:
undetectable
4grkA-1wkcA:
20.99
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.
1woi AGMATINASE

(Deinococcus
radiodurans)
PF00491
(Arginase)
4 THR A 178
GLY A 180
VAL A 207
PRO A 203
None
1.16A 4grkA-1woiA:
undetectable
4grkA-1woiA:
21.02
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.
1wue MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN


(Enterococcus
faecalis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 THR A1106
GLY A1269
VAL A1267
PRO A1265
None
1.14A 4grkA-1wueA:
undetectable
4grkA-1wueA:
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.
1wvh TENSIN

(Gallus gallus)
PF08416
(PTB)
4 THR A1656
GLY A1654
VAL A1675
PRO A1671
None
1.15A 4grkA-1wvhA:
undetectable
4grkA-1wvhA:
20.61
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.
1wz1 IG HEAVY CHAIN

(Mus musculus)
PF07686
(V-set)
4 THR H  87
GLY H  16
VAL H  12
PRO H  14
None
0.89A 4grkA-1wz1H:
undetectable
4grkA-1wz1H:
13.55
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.
1z0v PUTATIVE PROTEASE LA
HOMOLOG TYPE


(Archaeoglobus
fulgidus)
PF05362
(Lon_C)
4 GLY A 431
VAL A 429
PRO A 444
TYR A 502
None
1.11A 4grkA-1z0vA:
undetectable
4grkA-1z0vA:
21.69
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.
1z1n SIXTEEN HEME
CYTOCHROME


(Desulfovibrio
gigas)
PF02085
(Cytochrom_CIII)
PF14522
(Cytochrome_C7)
4 THR X 120
GLY X 116
VAL X 114
PRO X  11
None
1.05A 4grkA-1z1nX:
undetectable
4grkA-1z1nX:
21.23
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.
2cjl SECRETED CHITINASE

(Streptomyces
coelicolor)
PF00182
(Glyco_hydro_19)
4 THR A 144
GLY A 106
VAL A  75
TYR A 116
None
1.16A 4grkA-2cjlA:
undetectable
4grkA-2cjlA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE


(Thermus
thermophilus)
PF00171
(Aldedh)
4 THR A 246
GLY A 167
VAL A 242
TYR A 495
None
1.08A 4grkA-2d4eA:
1.3
4grkA-2d4eA:
20.85
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.
2hzk TRAP-T FAMILY
SORBITOL/MANNITOL
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, SMOM


(Rhodobacter
sphaeroides)
PF03480
(DctP)
4 GLY A 150
VAL A 245
PRO A 149
TYR A 128
None
1.12A 4grkA-2hzkA:
4.9
4grkA-2hzkA:
22.73
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.
2hzk TRAP-T FAMILY
SORBITOL/MANNITOL
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, SMOM


(Rhodobacter
sphaeroides)
PF03480
(DctP)
4 GLY A 151
VAL A 245
PRO A 149
TYR A 128
None
1.15A 4grkA-2hzkA:
4.9
4grkA-2hzkA:
22.73
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.
2inr DNA TOPOISOMERASE 4
SUBUNIT A


(Staphylococcus
aureus)
PF00521
(DNA_topoisoIV)
4 THR A 169
GLY A 167
PRO A 180
TYR A 326
None
1.08A 4grkA-2inrA:
undetectable
4grkA-2inrA:
19.49
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.
2iya OLEANDOMYCIN
GLYCOSYLTRANSFERASE


(Streptomyces
antibioticus)
PF00201
(UDPGT)
4 GLY A 408
VAL A 235
PRO A 237
TYR A 239
None
1.08A 4grkA-2iyaA:
undetectable
4grkA-2iyaA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ot3 RAS-RELATED PROTEIN
RAB-21


(Homo sapiens)
PF00071
(Ras)
4 THR B  75
GLY B  26
VAL B  98
TYR B  89
None
1.12A 4grkA-2ot3B:
undetectable
4grkA-2ot3B:
21.47
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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme)
no annotation 4 THR A 275
GLY A 277
VAL A 287
PRO A 289
None
1.18A 4grkA-2p4oA:
undetectable
4grkA-2p4oA:
20.79
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.
2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A


(Homo sapiens)
PF02373
(JmjC)
PF02375
(JmjN)
4 GLY A 216
VAL A 211
PRO A 213
TYR A 299
None
1.08A 4grkA-2pxjA:
undetectable
4grkA-2pxjA:
20.71
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.
2uud NQ10-1.12 ANTI-PHOX
ANTIBODY


(Mus musculus)
PF07686
(V-set)
4 THR H  82
GLY H  16
VAL H  12
PRO H  14
None
1.17A 4grkA-2uudH:
undetectable
4grkA-2uudH:
16.25
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens)
PF01839
(FG-GAP)
PF13517
(VCBS)
4 THR A 176
GLY A 179
VAL A 200
PRO A 199
None
1.17A 4grkA-2vc2A:
undetectable
4grkA-2vc2A:
22.06
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.
2vkp BTB/POZ
DOMAIN-CONTAINING
PROTEIN 6


(Homo sapiens)
PF00651
(BTB)
4 THR A  20
GLY A  15
VAL A  57
PRO A  55
None
1.11A 4grkA-2vkpA:
undetectable
4grkA-2vkpA:
14.72
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.
2w35 ENDONUCLEASE V

(Thermotoga
maritima)
PF04493
(Endonuclease_5)
4 THR A 134
GLY A 136
VAL A 181
PRO A 183
None
1.11A 4grkA-2w35A:
undetectable
4grkA-2w35A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wb7 PT26-6P

(Thermococcus
sp. 26-2)
no annotation 4 GLY A 204
VAL A 185
PRO A 203
TYR A 439
None
1.03A 4grkA-2wb7A:
undetectable
4grkA-2wb7A:
19.70
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.
2xts CYTOCHROME

(Paracoccus
pantotrophus)
PF13442
(Cytochrome_CBB3)
4 THR B 160
GLY B  49
VAL B  45
PRO B  47
None
1.07A 4grkA-2xtsB:
undetectable
4grkA-2xtsB:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zzw ABC TRANSPORTER,
SOLUTE-BINDING
PROTEIN


(Thermus
thermophilus)
PF03480
(DctP)
4 THR A  40
VAL A  69
PRO A  71
TYR A  49
None
1.05A 4grkA-2zzwA:
3.2
4grkA-2zzwA:
23.38
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.
3cjx PROTEIN OF UNKNOWN
FUNCTION WITH A
CUPIN-LIKE FOLD


(Cupriavidus
pinatubonensis)
no annotation 4 THR A  58
GLY A  56
PRO A 106
TYR A  78
None
0.82A 4grkA-3cjxA:
undetectable
4grkA-3cjxA:
19.10
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.
3clv RAB5 PROTEIN,
PUTATIVE


(Plasmodium
falciparum)
PF00071
(Ras)
PF08477
(Roc)
4 THR A 100
GLY A  14
VAL A 123
TYR A 114
None
1.13A 4grkA-3clvA:
undetectable
4grkA-3clvA:
23.80
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.
3d37 TAIL PROTEIN, 43 KDA

(Neisseria
meningitidis)
no annotation 4 THR A 342
GLY A 177
VAL A 175
PRO A 166
None
1.03A 4grkA-3d37A:
undetectable
4grkA-3d37A:
23.35
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.
3duu IG-LIKE PROTEIN

(Mus musculus)
PF07686
(V-set)
4 THR B  82
GLY B  16
VAL B  12
PRO B  14
None
0.91A 4grkA-3duuB:
undetectable
4grkA-3duuB:
15.95
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2


(Homo sapiens)
PF04042
(DNA_pol_E_B)
4 THR A 344
GLY A 405
VAL A 428
TYR A 402
None
1.03A 4grkA-3e0jA:
undetectable
4grkA-3e0jA:
22.08
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.
3g7s LONG-CHAIN-FATTY-ACI
D--COA LIGASE
(FADD-1)


(Archaeoglobus
fulgidus)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 THR A 125
GLY A  79
VAL A 103
PRO A 102
None
1.08A 4grkA-3g7sA:
0.7
4grkA-3g7sA:
20.73
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.
3i50 MURINE HEAVY CHAIN
(IGG3) OF E53
MONOCLONAL ANTIBODY
FAB


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 THR H  82
GLY H  16
VAL H  12
PRO H  14
None
1.00A 4grkA-3i50H:
undetectable
4grkA-3i50H:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE


(Pseudoalteromonas
atlantica)
PF00171
(Aldedh)
4 THR A 230
GLY A 152
VAL A 178
TYR A 476
None
1.08A 4grkA-3k2wA:
undetectable
4grkA-3k2wA:
19.80
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.
3nzr 2-DEHYDRO-3-DEOXYPHO
SPHOGLUCONATE
ALDOLASE


(Aliivibrio
fischeri)
PF07071
(KDGP_aldolase)
4 THR A 122
GLY A 124
VAL A 144
PRO A 143
None
1.16A 4grkA-3nzrA:
undetectable
4grkA-3nzrA:
23.22
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima)
PF01979
(Amidohydro_1)
4 GLY A 127
VAL A  91
PRO A  89
TYR A 182
None
1.19A 4grkA-3ooqA:
undetectable
4grkA-3ooqA:
21.36
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1)
PF01663
(Phosphodiest)
4 THR A 311
GLY A 246
VAL A 238
PRO A 237
None
0.96A 4grkA-3q3qA:
0.8
4grkA-3q3qA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sb4 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN


(Bacteroides
thetaiotaomicron)
PF13306
(LRR_5)
4 THR A 283
GLY A 285
VAL A 288
PRO A 262
None
1.11A 4grkA-3sb4A:
undetectable
4grkA-3sb4A:
21.02
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.
3srt MALTOSE
O-ACETYLTRANSFERASE


(Clostridioides
difficile)
PF12464
(Mac)
PF14602
(Hexapep_2)
4 THR A 149
GLY A 151
VAL A 154
PRO A 167
None
1.09A 4grkA-3srtA:
undetectable
4grkA-3srtA:
17.80
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.
3ttl POLYAMINE TRANSPORT
PROTEIN


(Pseudomonas
aeruginosa)
PF13416
(SBP_bac_8)
4 THR A  64
GLY A  67
VAL A  70
TYR A  32
None
1.10A 4grkA-3ttlA:
4.1
4grkA-3ttlA:
22.91
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN


(Vigna
unguiculata)
PF00182
(Glyco_hydro_19)
4 THR A 152
GLY A 114
VAL A  88
TYR A 124
None
1.16A 4grkA-3w3eA:
undetectable
4grkA-3w3eA:
22.12
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.
3wvr PGM1

(Streptomyces
cirratus)
no annotation 4 THR A 357
GLY A 354
VAL A 351
PRO A 353
None
1.15A 4grkA-3wvrA:
undetectable
4grkA-3wvrA:
21.79
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 3


(Homo sapiens)
PF04054
(Not1)
PF04153
(NOT2_3_5)
4 GLY A2033
VAL A2035
PRO A2032
TYR C 613
None
1.07A 4grkA-4c0dA:
undetectable
4grkA-4c0dA:
17.49
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.
4d1g FIBER PROTEIN

(Snake
atadenovirus A)
no annotation 4 THR A 282
GLY A 280
VAL A 334
PRO A 332
None
1.12A 4grkA-4d1gA:
undetectable
4grkA-4d1gA:
19.48
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.
4dnx SULFATE
ADENYLYLTRANSFERASE


(Allochromatium
vinosum)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2)
4 THR A 179
GLY A  50
PRO A  12
TYR A  16
None
1.05A 4grkA-4dnxA:
undetectable
4grkA-4dnxA:
22.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fim LACTOTRANSFERRIN

(Bos taurus)
PF00405
(Transferrin)
5 THR A 430
GLY A 432
VAL A 591
PRO A 593
TYR A 660
None
CEL  A 711 (-3.7A)
None
CEL  A 711 (-4.3A)
CEL  A 711 (-4.4A)
0.15A 4grkA-4fimA:
60.7
4grkA-4fimA:
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.
4gi5 QUINONE REDUCTASE

(Klebsiella
pneumoniae)
PF02525
(Flavodoxin_2)
4 GLY A 140
VAL A 143
PRO A 184
TYR A 183
None
None
None
UNL  A 302 (-4.2A)
1.19A 4grkA-4gi5A:
undetectable
4grkA-4gi5A:
19.03
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.
4h7u PYRANOSE
DEHYDROGENASE


(Leucoagaricus
meleagris)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
4 THR A 309
GLY A 297
VAL A 316
PRO A 314
None
1.04A 4grkA-4h7uA:
undetectable
4grkA-4h7uA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hlz FAB C179 HEAVY CHAIN

(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 THR G  82
GLY G  16
VAL G  12
PRO G  14
None
0.80A 4grkA-4hlzG:
undetectable
4grkA-4hlzG:
20.41
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
4 GLY A 313
VAL A  60
PRO A 709
TYR A 696
None
0.92A 4grkA-4iigA:
undetectable
4grkA-4iigA:
18.73
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.
4kro CETUXIMAB HEAVY
CHAIN


(Homo sapiens;
Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 THR D 113
GLY D  10
VAL D  12
PRO D   9
None
1.13A 4grkA-4kroD:
undetectable
4grkA-4kroD:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m98 PILIN GLYCOSYLATION
PROTEIN


(Neisseria
gonorrhoeae)
PF00132
(Hexapep)
4 THR A 372
GLY A 374
VAL A 377
PRO A 390
None
1.15A 4grkA-4m98A:
undetectable
4grkA-4m98A:
19.94
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.
4rhm ARGINASE

(Trypanosoma
brucei)
PF00491
(Arginase)
4 THR A 304
GLY A 258
VAL A 219
PRO A 218
None
1.18A 4grkA-4rhmA:
undetectable
4grkA-4rhmA:
20.71
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.
4umi FIBER PROTEIN

(Snake
atadenovirus A)
no annotation 4 THR A 282
GLY A 280
VAL A 334
PRO A 332
None
1.14A 4grkA-4umiA:
undetectable
4grkA-4umiA:
23.46
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus)
PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N)
4 THR A 171
GLY A 166
VAL A 164
PRO A 162
None
1.17A 4grkA-4zr5A:
undetectable
4grkA-4zr5A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c8s GUANINE-N7
METHYLTRANSFERASE


(Severe acute
respiratory
syndrome-related
coronavirus)
PF06471
(NSP11)
4 THR B 437
VAL B 398
PRO B 393
TYR B 370
None
1.18A 4grkA-5c8sB:
undetectable
4grkA-5c8sB:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxd PUTATIVE
BETA-GLUCANASE


(Mycobacteroides
abscessus)
PF00722
(Glyco_hydro_16)
4 THR A 158
GLY A 156
VAL A 173
PRO A 172
None
0.99A 4grkA-5dxdA:
undetectable
4grkA-5dxdA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3e LARGE EXOPROTEIN
INVOLVED IN HEME
UTILIZATION OR
ADHESION


(Yersinia
kristensenii)
no annotation 4 THR B 199
GLY B 242
VAL B 255
PRO B 240
None
1.12A 4grkA-5e3eB:
undetectable
4grkA-5e3eB:
15.19
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
4 THR A 501
GLY A 217
VAL A 215
TYR A 179
None
1.18A 4grkA-5e9aA:
undetectable
4grkA-5e9aA:
17.11
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.
5ewy PUTATIVE
ADP-RIBOSYLTRANSFERA
SE SCABIN


(Streptomyces
scabiei)
no annotation 4 GLY A 165
VAL A  57
PRO A 114
TYR A 106
None
1.15A 4grkA-5ewyA:
undetectable
4grkA-5ewyA:
19.94
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.
5eyi NON-STRUCTURAL
PROTEIN 11


(Porcine
reproductive
and respiratory
syndrome virus)
no annotation 4 THR A 105
GLY A  66
VAL A  82
PRO A  80
None
1.06A 4grkA-5eyiA:
undetectable
4grkA-5eyiA:
21.89
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.
5f9s SERINE--PYRUVATE
AMINOTRANSFERASE


(Homo sapiens)
PF00266
(Aminotran_5)
4 THR A 154
GLY A 109
VAL A 113
TYR A 204
PLP  A 401 ( 4.4A)
None
None
None
1.16A 4grkA-5f9sA:
undetectable
4grkA-5f9sA:
21.43
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
4 GLY A 314
VAL A  60
PRO A 712
TYR A 699
EDO  A1870 ( 3.7A)
None
None
None
0.87A 4grkA-5fjiA:
undetectable
4grkA-5fjiA:
17.56
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
4 GLY A 314
VAL A  61
PRO A 710
TYR A 697
None
None
NAG  A1001 ( 4.9A)
None
0.86A 4grkA-5fjjA:
undetectable
4grkA-5fjjA:
18.26
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.
5ik2 ATP SYNTHASE EPSILON
CHAIN
ATP SYNTHASE GAMMA
CHAIN


(Caldalkalibacillus
thermarum)
PF00231
(ATP-synt)
PF02823
(ATP-synt_DE_N)
4 THR G  38
VAL H   9
PRO H  11
TYR G 227
None
0.76A 4grkA-5ik2G:
undetectable
4grkA-5ik2G:
22.25
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.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans)
PF03055
(RPE65)
4 THR A 118
GLY A  63
VAL A  43
PRO A  45
None
None
None
V55  A 503 ( 4.8A)
1.08A 4grkA-5j55A:
undetectable
4grkA-5j55A:
19.49
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
4 GLY A 310
VAL A  60
PRO A 704
TYR A 691
None
0.88A 4grkA-5ju6A:
undetectable
4grkA-5ju6A:
16.94
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.
5m1b 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE


(Escherichia
coli)
PF01977
(UbiD)
4 THR A 160
GLY A 162
VAL A 219
TYR A 317
None
1.17A 4grkA-5m1bA:
undetectable
4grkA-5m1bA:
21.33
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.
5m9f ORF68

(Staphylococcus
virus K)
no annotation 4 GLY A 286
VAL A 284
PRO A 288
TYR A 311
None
1.11A 4grkA-5m9fA:
undetectable
4grkA-5m9fA:
14.04
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.
5n2p TRYPTOPHAN SYNTHASE
ALPHA CHAIN


(Sulfolobus
solfataricus)
no annotation 4 THR A   9
GLY A  11
VAL A  15
PRO A  13
None
1.16A 4grkA-5n2pA:
undetectable
4grkA-5n2pA:
12.61
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii)
no annotation 4 THR A 299
GLY A 287
VAL A 306
PRO A 304
None
0.99A 4grkA-5oc1A:
undetectable
4grkA-5oc1A:
21.23
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.
5oup PERFORIN-LIKE
PROTEIN 1


(Toxoplasma
gondii)
no annotation 4 GLY A 738
VAL A 758
PRO A 762
TYR A 468
None
1.05A 4grkA-5oupA:
undetectable
4grkA-5oupA:
12.13
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.
5ov6 PORPHOBILINOGEN
DEAMINASE


(Bacillus
megaterium)
PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC)
4 THR A 260
GLY A 247
VAL A 195
PRO A 193
None
0.99A 4grkA-5ov6A:
6.5
4grkA-5ov6A:
22.67
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY


(Caulobacter
vibrioides)
no annotation 4 GLY A 457
VAL A 549
PRO A 459
TYR A 560
None
1.18A 4grkA-5oynA:
undetectable
4grkA-5oynA:
11.01
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.
5szj RAS-RELATED PROTEIN
RAB-10


(Homo sapiens)
PF00071
(Ras)
4 THR A  65
GLY A  16
VAL A  88
TYR A  79
None
1.19A 4grkA-5szjA:
undetectable
4grkA-5szjA:
20.73
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.
5tx7 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN


(Desulfovibrio
vulgaris)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
4 THR A  10
GLY A   8
VAL A  29
PRO A  31
None
0.84A 4grkA-5tx7A:
undetectable
4grkA-5tx7A:
22.01
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.
5u3l DH511.2 FAB HEAVY
CHAIN


(Homo sapiens)
no annotation 4 THR H  82
GLY H  16
VAL H  12
PRO H  14
None
1.03A 4grkA-5u3lH:
undetectable
4grkA-5u3lH:
20.77
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.
5u8z CAROTENOID OXYGENASE
1


(Neurospora
crassa)
PF03055
(RPE65)
4 THR A 148
GLY A  95
VAL A  75
PRO A  77
None
0.99A 4grkA-5u8zA:
undetectable
4grkA-5u8zA:
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.
5uvq SCABIN

(Streptomyces
scabiei)
no annotation 4 GLY A 165
VAL A  57
PRO A 114
TYR A 106
None
1.11A 4grkA-5uvqA:
undetectable
4grkA-5uvqA:
16.40
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum)
no annotation 4 THR A 119
GLY A  65
VAL A  45
PRO A  47
None
0.95A 4grkA-5v2dA:
undetectable
4grkA-5v2dA:
13.98
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.
5vgj VRC38.01 FAB HEAVY
CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 THR H  82
GLY H  16
VAL H  12
PRO H  14
None
1.02A 4grkA-5vgjH:
undetectable
4grkA-5vgjH:
22.35
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD


(Deinococcus
radiodurans)
PF02355
(SecD_SecF)
PF07549
(Sec_GG)
4 THR A 596
GLY A 592
VAL A 587
PRO A 505
None
1.15A 4grkA-5xapA:
undetectable
4grkA-5xapA:
19.51
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA


(Komagataella
phaffii)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
4 THR B 447
GLY B 159
VAL B 115
PRO B 114
None
1.15A 4grkA-5xogB:
undetectable
4grkA-5xogB:
13.13
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.
5xon RNA POLYMERASE II
SUBUNIT


(Komagataella
phaffii)
PF00575
(S1)
PF03876
(SHS2_Rpb7-N)
4 THR G 112
GLY G  98
VAL G  94
PRO G  96
None
1.05A 4grkA-5xonG:
undetectable
4grkA-5xonG:
18.29
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.
5xxu RIBOSOMAL PROTEIN
ES4


(Toxoplasma
gondii)
PF00467
(KOW)
PF00900
(Ribosomal_S4e)
PF01479
(S4)
PF08071
(RS4NT)
PF16121
(40S_S4_C)
4 GLY E 132
VAL E 130
PRO E 137
TYR E 149
U  2 252 ( 4.5A)
A  2 251 ( 4.8A)
None
None
0.70A 4grkA-5xxuE:
undetectable
4grkA-5xxuE:
19.94
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.
5zj5 -

(-)
no annotation 4 GLY A 169
VAL A  61
PRO A 118
TYR A 110
None
None
None
NAI  A 301 (-4.4A)
1.09A 4grkA-5zj5A:
undetectable
4grkA-5zj5A:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3


(Homo sapiens)
no annotation 4 THR A 538
GLY A 523
VAL A 519
PRO A 521
None
1.01A 4grkA-6en4A:
undetectable
4grkA-6en4A:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f0x MAD2L1-BINDING
PROTEIN


(Homo sapiens)
no annotation 4 THR P 145
VAL P 150
PRO P 148
TYR P 260
None
1.18A 4grkA-6f0xP:
undetectable
4grkA-6f0xP:
12.84