SIMILAR PATTERNS OF AMINO ACIDS FOR 1T85_A_CAMA422_0

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.
1ag9 FLAVODOXIN

(Escherichia
coli)
PF00258
(Flavodoxin_1)
4 THR A   4
LEU A  26
VAL A 161
VAL A 117
None
1.00A 1t85A-1ag9A:
0.0
1t85A-1ag9A:
23.53
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.
1ahs AFRICAN HORSE
SICKNESS VIRUS
(SEROTYPE 4) VP7


(African horse
sickness virus)
PF00897
(Orbi_VP7)
4 THR A 126
VAL A 247
VAL A 182
ASP A 180
None
1.02A 1t85A-1ahsA:
undetectable
1t85A-1ahsA:
14.89
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.
1lfp HYPOTHETICAL PROTEIN
AQ_1575


(Aquifex
aeolicus)
PF01709
(Transcrip_reg)
4 PHE A 117
LEU A 222
VAL A 234
VAL A 130
None
0.87A 1t85A-1lfpA:
undetectable
1t85A-1lfpA:
22.79
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.
1mb9 BETA-LACTAM
SYNTHETASE


(Streptomyces
clavuligerus)
PF00733
(Asn_synthase)
PF13537
(GATase_7)
4 THR A 396
LEU A 345
VAL A 257
VAL A 404
None
1.06A 1t85A-1mb9A:
undetectable
1t85A-1mb9A:
23.28
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE


(Xanthomonas
citri)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
4 PHE A 107
THR A  78
VAL A 195
ASP A 104
None
1.06A 1t85A-1mpxA:
0.0
1t85A-1mpxA:
21.14
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes)
PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C)
4 LEU A 645
VAL A 628
VAL A 602
ASP A 604
None
0.96A 1t85A-1xf1A:
0.0
1t85A-1xf1A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE


(Saccharomyces
cerevisiae)
PF00343
(Phosphorylase)
4 THR A 506
LEU A 521
VAL A 802
VAL A 537
None
0.90A 1t85A-1ygpA:
0.0
1t85A-1ygpA:
18.21
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides)
PF06330
(TRI5)
4 TYR A  93
LEU A 150
VAL A 138
VAL A  81
SAZ  A 709 (-4.9A)
None
None
None
0.98A 1t85A-1yyrA:
0.0
1t85A-1yyrA:
23.16
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.
2awa DNA POLYMERASE III,
BETA CHAIN


(Streptococcus
pneumoniae)
PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3)
4 PHE A  11
LEU A  77
VAL A  34
VAL A  38
None
0.97A 1t85A-2awaA:
0.0
1t85A-2awaA:
22.10
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.
2awg 38 KDA FK-506
BINDING PROTEIN


(Homo sapiens)
PF00254
(FKBP_C)
4 LEU A 200
VAL A 198
VAL A 152
ASP A 157
None
0.95A 1t85A-2awgA:
undetectable
1t85A-2awgA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7h HEMOGLOBIN ALPHA
CHAIN


(Cerdocyon thous)
PF00042
(Globin)
4 PHE A  43
THR A  32
VAL A  62
VAL A  93
HEM  A 200 (-3.5A)
None
HEM  A 200 ( 3.8A)
HEM  A 200 (-4.3A)
0.96A 1t85A-2b7hA:
undetectable
1t85A-2b7hA:
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE


(Arabidopsis
thaliana)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 TYR A  27
THR A  10
LEU A  29
VAL A  71
None
1.01A 1t85A-2cf5A:
undetectable
1t85A-2cf5A:
21.54
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.
2dwz 26S PROTEASE
REGULATORY SUBUNIT
6B


(Rattus
norvegicus)
no annotation 4 THR B 349
LEU B 354
VAL B 358
VAL B 364
None
1.00A 1t85A-2dwzB:
undetectable
1t85A-2dwzB:
14.79
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL


(Rattus
norvegicus)
PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N)
4 THR A 176
LEU A 216
VAL A 213
ASP A 270
MG  A 602 ( 3.3A)
None
None
MG  A 602 ( 4.8A)
0.90A 1t85A-2f43A:
undetectable
1t85A-2f43A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL


(Rattus
norvegicus)
PF00755
(Carn_acyltransf)
4 PHE A 221
THR A 165
LEU A  35
VAL A 387
None
1.03A 1t85A-2h4tA:
undetectable
1t85A-2h4tA:
22.05
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE


(Mus musculus)
PF01234
(NNMT_PNMT_TEMT)
4 PHE A 254
LEU A 194
VAL A 226
ASP A 198
None
0.98A 1t85A-2i62A:
undetectable
1t85A-2i62A:
18.91
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.
2k8d PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRB


(Methanothermobacter
thermautotrophicus)
PF01641
(SelR)
4 PHE A  90
LEU A 123
VAL A 114
VAL A  94
None
0.99A 1t85A-2k8dA:
undetectable
1t85A-2k8dA:
17.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE


(Pseudomonas
putida)
PF00067
(p450)
4 PHE A  87
TYR A  96
LEU A 244
VAL A 396
CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-4.5A)
None
0.70A 1t85A-2m56A:
67.9
1t85A-2m56A:
99.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE


(Pseudomonas
putida)
PF00067
(p450)
7 PHE A  87
TYR A  96
THR A 101
LEU A 244
VAL A 247
VAL A 295
ASP A 297
CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
HEM  A 501 (-4.5A)
None
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
0.32A 1t85A-2m56A:
67.9
1t85A-2m56A:
99.26
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.
2m83 PROTEIN PHOSPHATASE
1 REGULATORY SUBUNIT
3A


(Oryctolagus
cuniculus)
PF03370
(CBM_21)
4 THR A 135
LEU A 231
VAL A 207
VAL A 161
None
1.05A 1t85A-2m83A:
undetectable
1t85A-2m83A:
15.83
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.
2oz4 FAB FRAGMENT, HEAVY
CHAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 TYR H  27
THR H  98
LEU H   4
VAL H  72
None
1.05A 1t85A-2oz4H:
undetectable
1t85A-2oz4H:
18.07
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.
2pqv MUTT/NUDIX FAMILY
PROTEIN


(Streptococcus
pneumoniae)
PF00293
(NUDIX)
4 THR A  40
LEU A 128
VAL A 131
VAL A  76
None
1.01A 1t85A-2pqvA:
undetectable
1t85A-2pqvA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r8r SENSOR PROTEIN

(Pseudomonas
syringae group
genomosp. 3)
PF02702
(KdpD)
4 THR A 204
LEU A   8
VAL A 121
ASP A 147
None
0.88A 1t85A-2r8rA:
undetectable
1t85A-2r8rA:
21.05
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.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB


(Streptococcus
pneumoniae)
no annotation 4 THR A  40
LEU A 106
VAL A 133
ASP A   3
None
1.06A 1t85A-2wjfA:
undetectable
1t85A-2wjfA:
22.60
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.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)


(Archaeoglobus
fulgidus)
PF02492
(cobW)
4 THR A  50
LEU A 113
VAL A  33
VAL A 160
None
1.04A 1t85A-2wsmA:
undetectable
1t85A-2wsmA:
20.00
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.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
4 THR A 271
LEU A 293
VAL A 261
VAL A  95
None
0.91A 1t85A-2x0iA:
undetectable
1t85A-2x0iA:
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.
2x63 ALPHA-2,3-/2,8-SIALY
LTRANSFERASE


(Campylobacter
jejuni)
PF06002
(CST-I)
4 PHE A  35
TYR A  34
THR A  61
ASP A 242
None
1.07A 1t85A-2x63A:
undetectable
1t85A-2x63A:
18.91
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme)
PF00400
(WD40)
4 THR A  93
LEU A  90
VAL A  60
ASP A  78
None
1.03A 1t85A-2ymuA:
undetectable
1t85A-2ymuA:
22.28
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme)
PF00400
(WD40)
4 THR A 298
LEU A 295
VAL A 265
ASP A 283
None
1.04A 1t85A-2ymuA:
undetectable
1t85A-2ymuA:
22.28
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.
2zhp BLEOMYCIN RESISTANCE
PROTEIN


(Streptoalloteichus
hindustanus)
no annotation 4 PHE A  29
LEU A 108
VAL A 116
VAL A  68
None
1.06A 1t85A-2zhpA:
undetectable
1t85A-2zhpA:
14.22
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.
3b5q PUTATIVE SULFATASE
YIDJ


(Bacteroides
thetaiotaomicron)
PF00884
(Sulfatase)
PF16347
(DUF4976)
4 THR A 276
LEU A 267
VAL A 263
VAL A 113
None
0.97A 1t85A-3b5qA:
undetectable
1t85A-3b5qA:
21.54
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN


(Methylobacillus
flagellatus)
PF03069
(FmdA_AmdA)
4 TYR A 227
LEU A 279
VAL A 278
VAL A 223
None
0.92A 1t85A-3b9tA:
undetectable
1t85A-3b9tA:
22.16
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.
3bx8 ENGINEERED HUMAN
LIPOCALIN 2


(Homo sapiens)
PF00061
(Lipocalin)
4 PHE A  83
TYR A  56
THR A  54
VAL A 121
None
None
1PE  A 179 ( 4.7A)
None
1.02A 1t85A-3bx8A:
undetectable
1t85A-3bx8A:
18.16
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.
3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1


(Escherichia
coli;
Arabidopsis
thaliana)
PF00400
(WD40)
PF01547
(SBP_bac_1)
4 THR A1189
LEU A1186
VAL A1153
ASP A1173
None
1.05A 1t85A-3dm0A:
undetectable
1t85A-3dm0A:
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.
3dqq PUTATIVE TRNA
SYNTHASE


(Salmonella
enterica)
PF07005
(DUF1537)
PF17042
(DUF1357_C)
4 PHE A  11
THR A 368
LEU A 398
VAL A 389
None
1.00A 1t85A-3dqqA:
undetectable
1t85A-3dqqA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2


(Homo sapiens)
PF04042
(DNA_pol_E_B)
4 THR A 320
VAL A 294
VAL A 276
ASP A 280
None
1.06A 1t85A-3e0jA:
undetectable
1t85A-3e0jA:
23.69
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG


(Escherichia
coli)
PF01134
(GIDA)
PF13932
(GIDA_assoc)
4 LEU A 365
VAL A 151
VAL A 125
ASP A 127
None
1.02A 1t85A-3g05A:
undetectable
1t85A-3g05A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gqp HEMOGLOBIN SUBUNIT
ALPHA


(Felis catus)
PF00042
(Globin)
4 PHE A  43
THR A  32
VAL A  62
VAL A  93
HEM  A 143 (-3.7A)
None
HEM  A 143 ( 4.1A)
HEM  A 143 (-4.1A)
1.02A 1t85A-3gqpA:
undetectable
1t85A-3gqpA:
17.54
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.
3jxv 70 KDA
PEPTIDYL-PROLYL
ISOMERASE


(Triticum
aestivum)
PF00254
(FKBP_C)
4 LEU A 380
VAL A 378
VAL A 330
ASP A 335
None
0.98A 1t85A-3jxvA:
undetectable
1t85A-3jxvA:
22.69
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.
3ko7 D-TYROSYL-TRNA(TYR)
DEACYLASE


(Plasmodium
falciparum)
PF02580
(Tyr_Deacylase)
4 LEU A  79
VAL A  76
VAL A 151
ASP A 148
None
0.97A 1t85A-3ko7A:
undetectable
1t85A-3ko7A:
17.58
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.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE


(Mycobacterium
tuberculosis)
PF13561
(adh_short_C2)
4 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.05A 1t85A-3m1lA:
undetectable
1t85A-3m1lA:
22.13
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE


(Actinomadura
kijaniata)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 THR A 151
LEU A 163
VAL A 199
VAL A 170
None
0.97A 1t85A-3m9vA:
undetectable
1t85A-3m9vA:
22.07
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.
3pvl MYOSIN VIIA ISOFORM
1


(Mus musculus)
PF00784
(MyTH4)
4 PHE A1532
LEU A1511
VAL A1498
VAL A1489
None
None
None
GOL  A   1 ( 4.7A)
0.99A 1t85A-3pvlA:
undetectable
1t85A-3pvlA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 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  71
LEU A 504
VAL A 317
ASP A 321
None
1.06A 1t85A-3q3qA:
undetectable
1t85A-3q3qA:
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 THR A 561
LEU A 573
VAL A 600
VAL A 555
None
0.91A 1t85A-3rimA:
undetectable
1t85A-3rimA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3skv SSFX3

(Streptomyces
sp. SF2575)
PF13472
(Lipase_GDSL_2)
4 THR A  71
LEU A 152
VAL A 150
VAL A 103
None
1.01A 1t85A-3skvA:
undetectable
1t85A-3skvA:
22.30
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE


(Streptococcus
mutans)
PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C)
4 LEU A  95
VAL A  92
VAL A  82
ASP A  50
None
1.02A 1t85A-3sqzA:
undetectable
1t85A-3sqzA:
20.56
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.
3t6g SH2
DOMAIN-CONTAINING
PROTEIN 3C


(Homo sapiens)
PF00617
(RasGEF)
4 PHE A 586
LEU A 590
VAL A 444
ASP A 441
None
0.89A 1t85A-3t6gA:
undetectable
1t85A-3t6gA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tos CALS11

(Micromonospora
echinospora)
PF05711
(TylF)
4 THR A 181
LEU A 175
VAL A 171
VAL A 161
None
1.03A 1t85A-3tosA:
undetectable
1t85A-3tosA:
22.57
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.
3tov GLYCOSYL TRANSFERASE
FAMILY 9


(Veillonella
parvula)
PF01075
(Glyco_transf_9)
4 LEU A 249
VAL A  49
VAL A  61
ASP A  43
None
0.98A 1t85A-3tovA:
undetectable
1t85A-3tovA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubc HEMOGLOBIN-LIKE
FLAVOPROTEIN


(Methylacidiphilum
infernorum)
PF00042
(Globin)
4 PHE A  43
TYR A  29
LEU A  54
VAL A  87
HEM  A 201 (-3.8A)
None
OXY  A 202 ( 4.3A)
HEM  A 201 (-4.1A)
1.07A 1t85A-3ubcA:
undetectable
1t85A-3ubcA:
17.03
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.
3umf ADENYLATE KINASE

(Schistosoma
mansoni)
PF00406
(ADK)
4 PHE A  13
TYR A  96
LEU A  74
VAL A 110
None
0.86A 1t85A-3umfA:
undetectable
1t85A-3umfA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pyrococcus
furiosus)
PF01554
(MatE)
4 THR A 202
LEU A 143
VAL A  45
ASP A  41
OLC  A 505 ( 4.5A)
None
None
None
1.04A 1t85A-3wbnA:
undetectable
1t85A-3wbnA:
21.31
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.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL


(Homo sapiens)
PF00940
(RNA_pol)
PF14700
(RPOL_N)
4 PHE A1229
TYR A1153
THR A1135
VAL A1222
None
1.06A 1t85A-4bocA:
undetectable
1t85A-4bocA:
17.37
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.
4bru ATP-DEPENDENT RNA
HELICASE DHH1


(Saccharomyces
cerevisiae)
PF00270
(DEAD)
PF00271
(Helicase_C)
4 PHE A 100
VAL A 134
VAL A 121
ASP A 195
None
1.06A 1t85A-4bruA:
undetectable
1t85A-4bruA:
20.98
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.
4c0r PUTATIVE AMINO ACID
BINDING PROTEIN


(Streptococcus
mutans)
PF00497
(SBP_bac_3)
4 THR A  86
LEU A 211
VAL A  35
ASP A  28
None
1.03A 1t85A-4c0rA:
undetectable
1t85A-4c0rA:
19.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
5 TYR A  98
THR A 103
LEU A 252
VAL A 303
ASP A 305
None
GOL  A1419 (-3.8A)
HEM  A1418 (-4.0A)
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
0.59A 1t85A-4c9mA:
58.7
1t85A-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
4 TYR A  98
THR A 103
LEU A 252
VAL A 404
None
GOL  A1419 (-3.8A)
HEM  A1418 (-4.0A)
GOL  A1419 (-3.5A)
0.84A 1t85A-4c9mA:
58.7
1t85A-4c9mA:
44.92
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.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2


(Neurospora
crassa)
PF00929
(RNase_T)
PF13423
(UCH_1)
4 THR A 593
LEU A 508
VAL A 511
VAL A 721
None
0.73A 1t85A-4czwA:
undetectable
1t85A-4czwA:
20.78
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.
4d6v G PROTEIN BETA
SUBUNIT GIB2


(Cryptococcus
neoformans)
PF00400
(WD40)
4 THR A 187
LEU A 184
VAL A 151
ASP A 171
None
1.03A 1t85A-4d6vA:
undetectable
1t85A-4d6vA:
20.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
4 PHE A  87
THR A 101
LEU A 250
VAL A 301
None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
PEG  A 502 ( 4.5A)
1.01A 1t85A-4dxyA:
52.1
1t85A-4dxyA:
46.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ehc PE-PGRS FAMILY
PROTEIN


(Mycobacterium
tuberculosis)
no annotation 4 PHE A 153
LEU A  35
VAL A  21
VAL A  79
None
0.98A 1t85A-4ehcA:
undetectable
1t85A-4ehcA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0q RESTRICTION
ENDONUCLEASE


(Mycobacterium
sp. JLS)
PF04471
(Mrr_cat)
4 THR A 437
LEU A 433
VAL A 418
VAL A 386
None
0.97A 1t85A-4f0qA:
undetectable
1t85A-4f0qA:
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.
4f0q RESTRICTION
ENDONUCLEASE


(Mycobacterium
sp. JLS)
PF04471
(Mrr_cat)
4 TYR A 293
THR A 437
LEU A 433
VAL A 418
None
1.04A 1t85A-4f0qA:
undetectable
1t85A-4f0qA:
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.
4guc PROTEIN BA_2500

(Bacillus
anthracis)
PF16723
(DUF5065)
4 PHE A 123
THR A  82
LEU A 142
ASP A 113
None
0.94A 1t85A-4gucA:
undetectable
1t85A-4gucA:
15.02
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.
4jdl ABSCISIC ACID
RECEPTOR PYL5


(Arabidopsis
thaliana)
PF10604
(Polyketide_cyc2)
4 THR A 152
LEU A 154
VAL A  73
VAL A  85
None
1.01A 1t85A-4jdlA:
undetectable
1t85A-4jdlA:
19.95
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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
4 TYR A 164
THR A 142
VAL A 216
VAL A  23
None
1.00A 1t85A-4lxfA:
undetectable
1t85A-4lxfA:
21.61
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.
4m7g TRYPSIN-LIKE
PROTEASE


(Saccharopolyspora
erythraea)
PF00089
(Trypsin)
4 THR A  44
LEU A  92
VAL A  37
VAL A 192
None
1.01A 1t85A-4m7gA:
undetectable
1t85A-4m7gA:
20.91
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.
4o0l NADPH-DEPENDENT
3-QUINUCLIDINONE
REDUCTASE


(Rhodotorula
mucilaginosa)
PF13561
(adh_short_C2)
4 PHE A 161
TYR A 110
THR A  34
VAL A 188
None
0.86A 1t85A-4o0lA:
undetectable
1t85A-4o0lA:
19.62
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.
4q9o ISOPRENYL
TRANSFERASE


(Streptococcus
pneumoniae)
PF01255
(Prenyltransf)
4 PHE A 143
THR A  56
LEU A 102
VAL A  99
2ZW  A 301 (-3.5A)
2ZW  A 301 ( 4.9A)
2ZW  A 301 (-4.5A)
2ZW  A 301 (-4.6A)
0.97A 1t85A-4q9oA:
undetectable
1t85A-4q9oA:
20.57
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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus)
PF03512
(Glyco_hydro_52)
4 PHE A 353
LEU A 295
VAL A 102
VAL A  14
None
1.04A 1t85A-4rhhA:
undetectable
1t85A-4rhhA:
21.41
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.
4std SCYTALONE
DEHYDRATASE


(Magnaporthe
grisea)
PF02982
(Scytalone_dh)
4 PHE A  53
TYR A  50
VAL A  75
VAL A 108
None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
1.05A 1t85A-4stdA:
undetectable
1t85A-4stdA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txd CSC2

(Thermofilum
pendens)
no annotation 4 THR A  85
LEU A 249
VAL A  43
VAL A  39
None
1.02A 1t85A-4txdA:
undetectable
1t85A-4txdA:
19.86
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.
4txd CSC2

(Thermofilum
pendens)
no annotation 4 THR A  85
LEU A 249
VAL A 264
VAL A  39
None
0.91A 1t85A-4txdA:
undetectable
1t85A-4txdA:
19.86
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.
4wy8 ESTERASE

(Rhizomucor
miehei)
PF07859
(Abhydrolase_3)
4 PHE A 128
TYR A 225
LEU A 169
VAL A 172
None
1.04A 1t85A-4wy8A:
undetectable
1t85A-4wy8A:
22.38
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.
4xxw PROTOCADHERIN-15

(Mus musculus)
no annotation 5 PHE B 183
TYR B 207
LEU B 234
VAL B 135
VAL B 141
None
1.33A 1t85A-4xxwB:
undetectable
1t85A-4xxwB:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y96 TRIOSEPHOSPHATE
ISOMERASE


(Gemmata
obscuriglobus)
PF00121
(TIM)
4 PHE A 163
TYR A 202
VAL A 151
VAL A 117
None
0.93A 1t85A-4y96A:
undetectable
1t85A-4y96A:
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.
4ypv EST8

(Parvibaculum)
PF07859
(Abhydrolase_3)
4 PHE A 125
TYR A 220
LEU A 164
VAL A 167
None
1.05A 1t85A-4ypvA:
undetectable
1t85A-4ypvA:
24.04
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.
4z8t AVRRXO1-ORF1

(Xanthomonas
oryzae)
no annotation 4 THR A 184
LEU A 142
VAL A 243
VAL A 194
None
0.91A 1t85A-4z8tA:
undetectable
1t85A-4z8tA:
23.28
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME


(Drosophila
melanogaster)
PF01401
(Peptidase_M2)
4 PHE A 363
LEU A 433
VAL A 283
ASP A 360
None
1.05A 1t85A-5a2rA:
undetectable
1t85A-5a2rA:
22.46
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.
5ah4 DNA POLYMERASE III
SUBUNIT BETA


(Mycolicibacterium
smegmatis)
PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3)
4 THR A  88
LEU A  84
VAL A  43
VAL A  67
None
1.00A 1t85A-5ah4A:
undetectable
1t85A-5ah4A:
24.15
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.
5b71 SKY59 FAB HEAVY
CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 TYR B  33
THR B  28
VAL B   2
ASP B 104
None
1.01A 1t85A-5b71B:
undetectable
1t85A-5b71B:
17.59
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.
5cay ENVELOPE
GLYCOPROTEIN GP120
CORE FROM ST STRAIN
OF HIV-2


(Human
immunodeficiency
virus 2)
PF00516
(GP120)
4 PHE G 482
LEU G 301
VAL G 357
VAL G 412
None
1.00A 1t85A-5cayG:
undetectable
1t85A-5cayG:
21.64
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.
5dql ISOCITRATE LYASE 1

(Mycobacterium
tuberculosis)
PF00463
(ICL)
4 THR A 389
VAL A  78
VAL A 143
ASP A 140
None
1.01A 1t85A-5dqlA:
undetectable
1t85A-5dqlA:
22.46
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.
5f5v PRP38

(Chaetomium
thermophilum)
PF03371
(PRP38)
4 TYR A 105
LEU A 119
VAL A  65
VAL A  56
None
0.99A 1t85A-5f5vA:
undetectable
1t85A-5f5vA:
21.71
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.
5gte LACHRYMATORY-FACTOR
SYNTHASE


(Allium cepa)
PF10604
(Polyketide_cyc2)
4 PHE A 104
TYR A 114
LEU A 152
VAL A  73
None
0.91A 1t85A-5gteA:
undetectable
1t85A-5gteA:
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.
5k53 ALDEHYDE
DEFORMYLATING
OXYGENASE


(Oscillatoria
sp.)
PF11266
(Ald_deCOase)
4 TYR A  17
LEU A  74
VAL A  76
VAL A  28
None
None
None
STE  A 502 ( 4.8A)
1.02A 1t85A-5k53A:
undetectable
1t85A-5k53A:
21.78
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.
5kh0 SMALL GTP-BINDING
PROTEIN


(Thermosipho
melanesiensis)
PF01926
(MMR_HSR1)
4 THR A 320
LEU A 324
VAL A 292
VAL A 379
None
1.07A 1t85A-5kh0A:
undetectable
1t85A-5kh0A:
21.95
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.
5lad PUTATIVE GTP-BINDING
PROTEIN


(Thermotoga
maritima)
PF01926
(MMR_HSR1)
4 TYR A 139
THR A  96
LEU A  94
VAL A 108
None
1.02A 1t85A-5ladA:
undetectable
1t85A-5ladA:
20.83
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.
5ldd MON1
CCZ1


(Chaetomium
thermophilum;
Chaetomium
thermophilum)
PF03164
(Mon1)
PF08217
(DUF1712)
4 PHE B 114
LEU A 226
VAL A 287
VAL A 274
None
0.98A 1t85A-5lddB:
undetectable
1t85A-5lddB:
21.72
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.
5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1


(Saccharomyces
cerevisiae)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
4 PHE C 251
LEU C 280
VAL C 289
ASP C 273
PHE  C 251 ( 1.3A)
LEU  C 280 ( 0.5A)
VAL  C 289 ( 0.5A)
ASP  C 273 ( 0.6A)
1.01A 1t85A-5lmxC:
undetectable
1t85A-5lmxC:
22.84
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.
5lq3 CMEB

(Campylobacter
jejuni)
PF00873
(ACR_tran)
4 THR A 845
LEU A 846
VAL A 679
VAL A 710
None
1.02A 1t85A-5lq3A:
undetectable
1t85A-5lq3A:
18.13
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN


(Thermothelomyces
thermophila)
PF07992
(Pyr_redox_2)
4 THR A 492
LEU A 221
VAL A 219
VAL A 199
None
1.06A 1t85A-5mq6A:
undetectable
1t85A-5mq6A:
20.21
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.
5mz9 -

(-)
no annotation 4 TYR A 322
THR A 343
VAL A 547
VAL A 543
None
1.04A 1t85A-5mz9A:
undetectable
1t85A-5mz9A:
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.
5nil MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB


(Escherichia
coli)
PF00005
(ABC_tran)
PF02687
(FtsX)
PF12704
(MacB_PCD)
4 LEU J 358
VAL J 365
VAL J 449
ASP J 405
None
1.00A 1t85A-5nilJ:
undetectable
1t85A-5nilJ:
20.69
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE


(Rhizobium sp.
NT-26)
no annotation 4 PHE A 620
LEU A 163
VAL A 155
VAL A 607
None
0.91A 1t85A-5nqdA:
undetectable
1t85A-5nqdA:
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.
5x2g CRISPR-ASSOCIATED
ENDONUCLEASE CAS9


(Campylobacter
jejuni)
no annotation 4 PHE A   7
TYR A 459
THR A 651
LEU A 435
None
0.91A 1t85A-5x2gA:
undetectable
1t85A-5x2gA:
19.50
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis)
no annotation 5 PHE A  34
TYR A  30
THR A 213
LEU A 274
VAL A 325
None
1.34A 1t85A-6eu6A:
undetectable
1t85A-6eu6A:
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.
6ffl MALTOSE/MALTODEXTRIN
TRANSPORT PERMEASE
HOMOLOGUE


(Bdellovibrio
bacteriovorus)
no annotation 4 PHE A  90
TYR A  89
THR A 295
LEU A 291
None
1.03A 1t85A-6fflA:
undetectable
1t85A-6fflA:
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE


(Paenibacillus
sp. YM1)
no annotation 4 THR A 805
LEU A 761
VAL A 760
VAL A 676
None
0.98A 1t85A-6gh2A:
undetectable
1t85A-6gh2A:
undetectable