SIMILAR PATTERNS OF AMINO ACIDS FOR 1KI7_B_ID2B2

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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		5 ILE A 138
MET A 122
ALA A 125
ARG A 100
GLU A 140
 None
 1.24A 1ki7B-1bueA:
undetectable		 1ki7B-1bueA:
21.49
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.
1dbw TRANSCRIPTIONAL
REGULATORY PROTEIN
FIXJ

(Sinorhizobium
meliloti) 		PF00072
(Response_reg) 		5 ILE A 112
ILE A 111
MET A  22
ALA A  20
GLU A 116
 None
 1.29A 1ki7B-1dbwA:
undetectable		 1ki7B-1dbwA:
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.
1ear UREASE ACCESSORY
PROTEIN UREE

(Sporosarcina
pasteurii) 		PF02814
(UreE_N)
PF05194
(UreE_C) 		5 ILE A 122
ILE A  81
MET A  92
ARG A  99
GLU A 119
 None
 1.39A 1ki7B-1earA:
undetectable		 1ki7B-1earA:
15.43
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.
1gul GLUTATHIONE
TRANSFERASE A4-4

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ILE A 159
GLN A 162
ARG A  15
ARG A  69
GLU A  97
 None
 1.47A 1ki7B-1gulA:
undetectable		 1ki7B-1gulA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 HIS A 144
ILE A  46
ARG A  37
ALA A  39
TYR A  40
 None
 1.44A 1ki7B-1j6uA:
undetectable		 1ki7B-1j6uA:
20.68
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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 GLU A 283
ILE A 293
ILE A 260
ARG A 385
ALA A 389
 None
 1.44A 1ki7B-1jqkA:
2.9		 1ki7B-1jqkA:
19.01
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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 GLU A 283
ILE A 384
ILE A 260
ALA A 289
ARG A 385
 None
 1.49A 1ki7B-1jqkA:
2.9		 1ki7B-1jqkA:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 GLU A  48
TRP A  53
ILE A  62
ILE A  65
ARG A 130
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 (-4.5A)
BVP  A 500 ( 4.2A)
BVP  A 500 (-2.8A)
 0.79A 1ki7B-1osnA:
35.1		 1ki7B-1osnA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 GLU A  48
TRP A  53
ILE A  65
GLN A  90
ARG A 130
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 ( 4.2A)
BVP  A 500 (-3.0A)
BVP  A 500 (-2.8A)
 0.61A 1ki7B-1osnA:
35.1		 1ki7B-1osnA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p75 THYMIDINE KINASE

(Equid
alphaherpesvirus
4) 		PF00693
(Herpes_TK) 		5 GLU A  60
TRP A  65
ILE A  74
GLN A 102
ARG A 139
 T5A  A 501 (-2.5A)
None
T5A  A 501 ( 4.4A)
T5A  A 501 (-3.1A)
T5A  A 501 (-3.7A)
 0.72A 1ki7B-1p75A:
37.8		 1ki7B-1p75A:
38.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p75 THYMIDINE KINASE

(Equid
alphaherpesvirus
4) 		PF00693
(Herpes_TK) 		5 GLU A  60
TRP A  65
ILE A  77
GLN A 102
ARG A 139
 T5A  A 501 (-2.5A)
None
T5A  A 501 ( 4.7A)
T5A  A 501 (-3.1A)
T5A  A 501 (-3.7A)
 0.76A 1ki7B-1p75A:
37.8		 1ki7B-1p75A:
38.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLU A 586
ILE A 529
ILE A 450
ARG A 588
GLU A 527
 None
 1.02A 1ki7B-1rw9A:
undetectable		 1ki7B-1rw9A:
18.78
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.
1sxj ACTIVATOR 1 95 KDA
SUBUNIT
ACTIVATOR 1 37 KDA
SUBUNIT

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 GLU B 132
ILE B 151
GLN B 125
ALA A 379
ARG A 515
 AGS  A 801 (-3.9A)
None
None
None
AGS  A 801 (-3.5A)
 1.22A 1ki7B-1sxjB:
undetectable		 1ki7B-1sxjB:
23.86
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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa) 		PF02567
(PhzC-PhzF) 		5 HIS A  75
ILE A  63
ILE A  48
ALA A  81
GLU A  46
 None
 1.24A 1ki7B-1u0kA:
undetectable		 1ki7B-1u0kA:
23.48
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.
1vgq FORMYL-COENZYME A
TRANSFERASE

(Oxalobacter
formigenes) 		PF02515
(CoA_transf_3) 		5 GLU A 411
ILE A  70
ILE A  36
MET A  86
ALA A  90
 None
 1.13A 1ki7B-1vgqA:
undetectable		 1ki7B-1vgqA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		12 HIS A  58
GLU A  83
TRP A  88
ILE A  97
ILE A 100
GLN A 125
MET A 128
ARG A 163
ALA A 168
TYR A 172
ARG A 222
GLU A 225
 TMP  A 500 (-3.8A)
TMP  A 500 (-2.7A)
None
TMP  A 500 ( 4.5A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-3.0A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.5A)
TMP  A 500 (-3.7A)
TMP  A 500 (-3.2A)
TMP  A 500 (-3.5A)
 0.56A 1ki7B-1vtkA:
48.6		 1ki7B-1vtkA:
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 TRP A 634
ILE A 622
ALA A 627
ARG A 484
GLU A 483
 None
 1.36A 1ki7B-1wz2A:
undetectable		 1ki7B-1wz2A:
15.73
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.
1ye8 HYPOTHETICAL UPF0334
KINASE-LIKE PROTEIN
AQ_1292

(Aquifex
aeolicus) 		PF03266
(NTPase_1) 		5 GLU A 148
ILE A 108
ILE A 105
MET A 126
ARG A 123
 None
 1.38A 1ki7B-1ye8A:
2.4		 1ki7B-1ye8A:
19.63
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 ILE C 242
ILE C 254
GLN C 246
ARG C 412
GLU C 258
 None
 1.32A 1ki7B-1zq1C:
undetectable		 1ki7B-1zq1C:
18.78
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 230
ILE A  96
ALA A  39
TYR A 112
GLU A 120
 FE  A 347 (-3.3A)
None
None
None
FE  A 347 ( 2.4A)
 1.14A 1ki7B-2aniA:
2.0		 1ki7B-2aniA:
22.70
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 230
ILE A  96
ALA A 109
TYR A 112
GLU A 120
 FE  A 347 (-3.3A)
None
None
None
FE  A 347 ( 2.4A)
 0.85A 1ki7B-2aniA:
2.0		 1ki7B-2aniA:
22.70
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.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16) 		5 ILE A 603
ARG A 608
ALA A 610
ARG A 626
GLU A 601
 None
 1.45A 1ki7B-2c0lA:
undetectable		 1ki7B-2c0lA:
24.33
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 HIS A 151
GLU A 131
ILE A 138
ALA A 144
ARG A  64
 None
 1.07A 1ki7B-2cevA:
1.8		 1ki7B-2cevA:
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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLU A 603
ILE A 486
ALA A 489
ARG A 478
GLU A 579
 None
 1.36A 1ki7B-2e6kA:
undetectable		 1ki7B-2e6kA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hrz NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 GLU A 210
ILE A 191
ILE A 323
ALA A 280
ARG A 209
 None
 1.47A 1ki7B-2hrzA:
undetectable		 1ki7B-2hrzA:
23.67
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.
2j86 PROTEIN
SERINE-THREONINE
PHOSPHATASE

(Synechococcus
elongatus) 		PF13672
(PP2C_2) 		5 HIS A  52
GLU A  44
ILE A  83
ARG A  47
ALA A  19
 None
 1.48A 1ki7B-2j86A:
undetectable		 1ki7B-2j86A:
23.58
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		5 TRP A  57
GLN A  81
ARG A 105
ALA A 110
GLU A 172
 None
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.6A)
 0.88A 1ki7B-2jcsA:
15.1		 1ki7B-2jcsA:
21.16
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.
2p0g SELENOPROTEIN
W-RELATED PROTEIN

(Vibrio cholerae) 		PF10262
(Rdx) 		5 HIS A  41
ILE A   6
ILE A  50
ALA A  21
GLU A   7
 None
 1.36A 1ki7B-2p0gA:
undetectable		 1ki7B-2p0gA:
14.80
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.
2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1

(Sulfolobus
solfataricus) 		PF03070
(TENA_THI-4) 		5 GLU A  52
ILE A 102
GLN A  46
TYR A 107
ARG A  99
 None
 1.46A 1ki7B-2qzcA:
undetectable		 1ki7B-2qzcA:
19.18
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.
2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1

(Sulfolobus
solfataricus) 		PF03070
(TENA_THI-4) 		5 GLU A  52
ILE A 102
ILE A  45
GLN A  46
ARG A  99
 None
 1.25A 1ki7B-2qzcA:
undetectable		 1ki7B-2qzcA:
19.18
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.
2r51 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 26B

(Mus musculus) 		PF03643
(Vps26) 		5 HIS A  83
GLU A 144
ARG A 131
ARG A 127
GLU A  75
 None
 1.45A 1ki7B-2r51A:
undetectable		 1ki7B-2r51A:
20.75
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.
2r9v ATP SYNTHASE SUBUNIT
ALPHA

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ILE A  38
ILE A  75
ALA A 270
TYR A 237
ARG A  40
 None
 1.47A 1ki7B-2r9vA:
undetectable		 1ki7B-2r9vA:
21.44
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.
2wbm RIBOSOME MATURATION
PROTEIN SDO1 HOMOLOG

(Methanothermobacter
thermautotrophicus) 		PF01172
(SBDS)
PF09377
(SBDS_C) 		5 ILE A 126
ILE A 108
MET A 130
ALA A 153
ARG A 125
 None
 1.42A 1ki7B-2wbmA:
undetectable		 1ki7B-2wbmA:
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.
2y27 PHENYLACETATE-COENZY
ME A LIGASE

(Burkholderia
cenocepacia) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		5 GLU A 250
ILE A 209
ALA A 123
ARG A 222
GLU A 226
 None
 1.14A 1ki7B-2y27A:
undetectable		 1ki7B-2y27A:
21.32
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.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 HIS A 213
GLU A 191
ILE A 417
TYR A 231
ARG A 415
 None
 1.44A 1ki7B-2ys6A:
undetectable		 1ki7B-2ys6A:
22.54
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.
2z04 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
ATPASE SUBUNIT

(Aquifex
aeolicus) 		PF02222
(ATP-grasp) 		5 GLU A  66
ILE A 180
GLN A 270
ARG A 254
GLU A 237
 None
 1.45A 1ki7B-2z04A:
undetectable		 1ki7B-2z04A:
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.
3euh CHROMOSOME PARTITION
PROTEIN MUKF

(Escherichia
coli) 		PF03882
(KicB)
PF17192
(MukF_M)
PF17193
(MukF_C) 		5 HIS A 282
ILE A 201
ARG A 286
ALA A 288
GLU A 205
 None
 1.43A 1ki7B-3euhA:
undetectable		 1ki7B-3euhA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fju CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 HIS A 196
ILE A 247
ILE A 243
ARG A 127
GLU A 270
 ZN  A 999 (-3.2A)
None
None
ACT  A 515 (-3.4A)
ACT  A 515 (-4.3A)
 1.38A 1ki7B-3fjuA:
2.3		 1ki7B-3fjuA:
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.
3ftp 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		5 GLU A  81
ILE A  35
ILE A  11
ALA A  84
ARG A  59
 None
 1.46A 1ki7B-3ftpA:
2.2		 1ki7B-3ftpA:
23.25
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.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLU A 188
ILE A 357
ILE A   6
ALA A 247
GLU A 361
 None
 1.32A 1ki7B-3goaA:
undetectable		 1ki7B-3goaA:
24.88
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.
3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Yersinia pestis) 		PF02348
(CTP_transf_3) 		5 GLU A  64
ILE A   4
ILE A  94
ALA A  48
ARG A  44
 None
 1.06A 1ki7B-3jtjA:
undetectable		 1ki7B-3jtjA:
21.97
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.
3k5h PHOSPHORIBOSYL-AMINO
IMIDAZOLE
CARBOXYLASE

(Aspergillus
clavatus) 		PF01262
(AlaDh_PNT_C)
PF02222
(ATP-grasp) 		5 GLU A 208
ILE A 312
ILE A 371
ARG A 224
GLU A 368
 None
 1.41A 1ki7B-3k5hA:
undetectable		 1ki7B-3k5hA:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A 341
ILE A 345
MET A 501
ALA A 503
GLU A 338
 None
 1.42A 1ki7B-3komA:
undetectable		 1ki7B-3komA:
19.18
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.
3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Mycobacterium
tuberculosis) 		PF00731
(AIRC) 		5 ILE A  13
ILE A  66
ALA A  83
ARG A  40
GLU A  38
 None
 1.19A 1ki7B-3lp6A:
undetectable		 1ki7B-3lp6A:
22.94
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.
3nbi RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
1

(Homo sapiens) 		PF08585
(RMI1_N) 		5 ILE A  31
ILE A   6
GLN A  45
MET A  48
GLU A  28
 None
 1.39A 1ki7B-3nbiA:
undetectable		 1ki7B-3nbiA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 195
ILE A 231
ALA A 344
ARG A  40
GLU A  53
 None
 1.44A 1ki7B-3o04A:
undetectable		 1ki7B-3o04A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfm GGDEF DOMAIN PROTEIN

(Pseudomonas
protegens) 		PF00563
(EAL) 		5 GLU A 630
ILE A 590
ILE A 587
ALA A 436
ARG A 597
 None
 1.17A 1ki7B-3pfmA:
undetectable		 1ki7B-3pfmA:
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.
3pju CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL) 		5 GLU A 630
ILE A 590
ILE A 587
ALA A 436
ARG A 597
 None
 1.31A 1ki7B-3pjuA:
undetectable		 1ki7B-3pjuA:
24.25
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.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 HIS A 124
ILE A 118
ILE A 127
MET A 141
ALA A 143
 None
 1.22A 1ki7B-3rhyA:
undetectable		 1ki7B-3rhyA:
21.26
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 339
ILE A 144
ILE A 152
ALA A 125
GLU A 140
 None
 1.36A 1ki7B-3s47A:
undetectable		 1ki7B-3s47A:
22.88
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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		5 GLN A 105
MET A  70
ARG A  96
TYR A 104
ARG A  50
 0DN  A 800 (-3.0A)
0DN  A 800 (-3.3A)
0DN  A 800 (-4.6A)
0DN  A 800 (-3.7A)
0DN  A 800 (-3.4A)
 1.36A 1ki7B-3uxmA:
10.8		 1ki7B-3uxmA:
25.89
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.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 HIS A 331
ILE A 428
ALA A 324
TYR A 327
ARG A 399
 None
 1.43A 1ki7B-3vm5A:
undetectable		 1ki7B-3vm5A:
19.60
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 GLU A 285
ILE A 330
ARG A 289
ALA A 292
GLU A 326
 None
 1.33A 1ki7B-3wqyA:
undetectable		 1ki7B-3wqyA:
16.10
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.
3zto NUCLEOSIDE
DIPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00334
(NDK) 		5 ILE A  89
ILE A 106
ALA A  98
ARG A  85
GLU A  30
 None
 1.48A 1ki7B-3ztoA:
undetectable		 1ki7B-3ztoA:
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.
4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Burkholderia
pseudomallei) 		no annotation 5 ILE A 156
ILE A 153
ARG A 308
ALA A 147
GLU A 155
 None
None
CL  A1315 (-4.1A)
None
None
 1.25A 1ki7B-4bqnA:
undetectable		 1ki7B-4bqnA:
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.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		5 ILE A  11
GLN A  13
ALA A 333
ARG A 312
GLU A 328
 None
 1.36A 1ki7B-4fx5A:
undetectable		 1ki7B-4fx5A:
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.
4j5q O-ACETYL-ADP-RIBOSE
DEACETYLASE 1

(Homo sapiens) 		PF01661
(Macro) 		5 ILE A 136
ILE A 147
MET A 117
ARG A 119
TYR A  16
 None
 1.22A 1ki7B-4j5qA:
undetectable		 1ki7B-4j5qA:
18.18
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.
4j5q O-ACETYL-ADP-RIBOSE
DEACETYLASE 1

(Homo sapiens) 		PF01661
(Macro) 		5 ILE A 136
ILE A 147
MET A 117
TYR A  16
GLU A 137
 None
 1.34A 1ki7B-4j5qA:
undetectable		 1ki7B-4j5qA:
18.18
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.
4jot ENOYL-COA HYDRATASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF00378
(ECH_1) 		5 GLU A 190
ILE A 110
ILE A  58
ARG A 201
ALA A 200
 None
 1.39A 1ki7B-4jotA:
undetectable		 1ki7B-4jotA:
24.86
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.
4lp7 MATRIX PROTEIN M

(Human
metapneumovirus) 		PF03393
(Pneumo_matrix) 		5 ILE A 223
ILE A 203
MET A 120
ALA A  16
GLU A 225
 None
 1.42A 1ki7B-4lp7A:
undetectable		 1ki7B-4lp7A:
22.94
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.
4ma5 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Francisella
tularensis) 		PF02222
(ATP-grasp) 		5 GLU A  69
ILE A 187
GLN A 279
ARG A 263
GLU A 247
 None
None
None
None
ANP  A 401 ( 2.8A)
 1.39A 1ki7B-4ma5A:
undetectable		 1ki7B-4ma5A:
22.56
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		5 GLU A  80
ILE A  86
GLN A  75
MET A  78
ARG A  87
 None
 1.08A 1ki7B-4q6tA:
undetectable		 1ki7B-4q6tA:
22.49
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.
4s3m 2-DEHYDROPANTOATE
2-REDUCTASE

(Staphylococcus
aureus) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 HIS A  81
ILE A   8
ILE A  31
ALA A  86
TYR A  84
 None
 1.48A 1ki7B-4s3mA:
undetectable		 1ki7B-4s3mA:
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 233
ILE A 212
MET A 225
ALA A 223
ARG A 234
 None
 1.48A 1ki7B-4ud8A:
undetectable		 1ki7B-4ud8A:
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		5 ILE A 333
ILE A 236
ALA A 306
ARG A 314
GLU A 334
 None
 1.43A 1ki7B-4uw2A:
undetectable		 1ki7B-4uw2A:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwj DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ILE A  90
ILE A 116
ALA A  80
ARG A  91
GLU A 128
 None
 1.49A 1ki7B-5cwjA:
3.3		 1ki7B-5cwjA:
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.
5d6a PREDICTED ATPASE OF
THE ABC CLASS

(Vibrio
vulnificus) 		PF09818
(ABC_ATPase) 		5 ILE A 383
ILE A 336
GLN A 319
MET A 346
ALA A 342
 None
 1.38A 1ki7B-5d6aA:
undetectable		 1ki7B-5d6aA:
22.03
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		5 ILE A 585
ILE A 653
ALA A 644
TYR A 647
GLU A 588
 None
 1.31A 1ki7B-5ezrA:
undetectable		 1ki7B-5ezrA:
17.78
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		5 GLU A  66
ILE A  60
ILE A  36
TYR A  90
GLU A  58
 SO4  A2004 (-3.8A)
SO4  A2004 (-3.9A)
None
None
SO4  A2004 ( 4.2A)
 1.15A 1ki7B-5fb3A:
undetectable		 1ki7B-5fb3A:
23.40
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.
5ik2 ATP SYNTHASE GAMMA
CHAIN

(Caldalkalibacillus
thermarum) 		PF00231
(ATP-synt) 		5 ILE G 140
ILE G 149
ALA G 229
TYR G 227
GLU G 148
 None
 1.37A 1ki7B-5ik2G:
undetectable		 1ki7B-5ik2G:
21.51
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.
5kdr ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
ALPHA

(Staphylococcus
aureus) 		PF03255
(ACCA) 		5 GLU A 263
ILE A 193
ILE A 191
ALA A 278
ARG A  65
 None
 1.42A 1ki7B-5kdrA:
2.5		 1ki7B-5kdrA:
22.49
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT
MITOCHONDRIAL
COMPLEX I, AGGG
SUBUNIT

(Ovis aries;
Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C)
no annotation 		5 TRP u  33
ILE L 374
ILE L 375
MET u  32
ALA u  30
 None
 1.35A 1ki7B-5lnku:
undetectable		 1ki7B-5lnku:
12.21
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.
5msz THERMOBIA DOMESTICA
DOMESTICA AA15

(Thermobia
domestica) 		no annotation 5 GLU A 109
ILE A 190
ARG A 102
ALA A 101
ARG A  10
 None
 1.20A 1ki7B-5mszA:
undetectable		 1ki7B-5mszA:
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.
5n0g PRECORRIN-8X
METHYLMUTASE

(Rhodobacter
capsulatus) 		no annotation 5 GLU A 209
ILE A  20
ILE A  41
ALA A 199
ARG A  21
 None
None
None
8F5  A 301 (-4.0A)
None
 1.25A 1ki7B-5n0gA:
undetectable		 1ki7B-5n0gA:
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		5 GLU A1323
ARG A1322
ALA A 864
ARG A 358
GLU A 355
 None
 1.47A 1ki7B-5n8oA:
undetectable		 1ki7B-5n8oA:
11.79
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA
RETINOIC ACID
RECEPTOR BETA

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 HIS B 365
GLU A 401
ILE B 356
ILE B 370
ARG B 357
 None
 1.16A 1ki7B-5uanB:
undetectable		 1ki7B-5uanB:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLU A 954
ILE A 871
ARG A 968
ALA A1058
GLU A 858
 None
 1.20A 1ki7B-5ux5A:
undetectable		 1ki7B-5ux5A:
17.77
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		5 GLU A 296
ILE A 335
ARG A 293
ALA A 424
ARG A 338
 None
 1.11A 1ki7B-5v0tA:
undetectable		 1ki7B-5v0tA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLU A 267
ILE A 292
ALA A 357
ARG A 296
GLU A 260
 None
 1.45A 1ki7B-5v9xA:
undetectable		 1ki7B-5v9xA:
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.
5vlg REGULATORY PROTEIN
TETR

([Enterobacter]
lignolyticus) 		no annotation 5 TRP A  79
ILE A 132
ALA A  77
ARG A 131
GLU A 128
 None
 1.28A 1ki7B-5vlgA:
undetectable		 1ki7B-5vlgA:
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.
5w7d ACYLOXYACYL
HYDROLASE

(Mus musculus) 		no annotation 5 HIS A 552
ILE A 546
ILE A 413
ARG A 254
ALA A 363
 None
 1.21A 1ki7B-5w7dA:
undetectable		 1ki7B-5w7dA:
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.
5xa2 CYSTEINE SYNTHASE

(Planctopirus
limnophila) 		PF00291
(PALP) 		5 GLU A  56
ILE A  11
ALA A 148
ARG A  86
GLU A   9
 None
 1.31A 1ki7B-5xa2A:
undetectable		 1ki7B-5xa2A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cn0 16S RRNA
(GUANINE(1405)-N(7))
-METHYLTRANSFERASE

(Proteus
mirabilis) 		no annotation 5 HIS A 171
ILE A  73
ILE A  77
ALA A 178
GLU A  70
 None
 1.01A 1ki7B-6cn0A:
undetectable		 1ki7B-6cn0A:
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A1933
ILE A1918
GLN A1926
ARG A1937
GLU A1948
 None
 1.41A 1ki7B-6emkA:
undetectable		 1ki7B-6emkA:
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.
6fri ALKANAL
MONOOXYGENASE BETA
CHAIN

(Photobacterium
leiognathi) 		no annotation 5 ILE A  88
GLN A  78
MET A  58
ALA A  56
GLU A  90
 None
 1.40A 1ki7B-6friA:
undetectable		 1ki7B-6friA:
undetectable