SIMILAR PATTERNS OF AMINO ACIDS FOR 3ZQ8_B_DVAB8_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.
1cn3 COAT PROTEIN VP1

(Polyomavirus
sp.) 		PF00718
(Polyoma_coat) 		3 TRP A 299
VAL A 296
TRP A 288
 None
 1.08A 3zq8A-1cn3A:
undetectable
3zq8B-1cn3A:
undetectable		 3zq8A-1cn3A:
4.64
3zq8B-1cn3A:
4.64
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.
1deu PROCATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		3 TRP A   7
VAL A 184
TRP A   5
 None
 1.33A 3zq8A-1deuA:
undetectable
3zq8B-1deuA:
undetectable		 3zq8A-1deuA:
6.34
3zq8B-1deuA:
6.34
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.
1ef7 CATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		3 TRP A   7
VAL A 184
TRP A   5
 None
 1.43A 3zq8A-1ef7A:
undetectable
3zq8B-1ef7A:
undetectable		 3zq8A-1ef7A:
6.34
3zq8B-1ef7A:
6.34
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.
1gn4 SUPEROXIDE DISMUTASE

(Mycobacterium
tuberculosis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		3 TRP A  80
VAL A  74
TRP A  79
 None
 0.91A 3zq8A-1gn4A:
undetectable
3zq8B-1gn4A:
undetectable		 3zq8A-1gn4A:
5.52
3zq8B-1gn4A:
5.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1guq GALACTOSE-1-PHOSPHAT
E
URIDYLYLTRANSFERASE

(Escherichia
coli) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		3 TRP A 134
VAL A 148
TRP A 280
 None
 1.45A 3zq8A-1guqA:
undetectable
3zq8B-1guqA:
undetectable		 3zq8A-1guqA:
4.36
3zq8B-1guqA:
4.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Escherichia
coli) 		PF02668
(TauD) 		3 TRP A 128
VAL A 252
TRP A 248
 None
 1.48A 3zq8A-1gy9A:
undetectable
3zq8B-1gy9A:
undetectable		 3zq8A-1gy9A:
7.43
3zq8B-1gy9A:
7.43
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.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Escherichia
coli) 		PF02668
(TauD) 		3 TRP A 248
VAL A 252
TRP A 128
 None
 1.31A 3zq8A-1gy9A:
undetectable
3zq8B-1gy9A:
undetectable		 3zq8A-1gy9A:
7.43
3zq8B-1gy9A:
7.43
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.
1kc8 RIBOSOMAL PROTEIN
L15E

(Haloarcula
marismortui) 		PF00827
(Ribosomal_L15e) 		3 TRP N  31
VAL N  37
TRP N 128
 None
 1.32A 3zq8A-1kc8N:
undetectable
3zq8B-1kc8N:
undetectable		 3zq8A-1kc8N:
5.82
3zq8B-1kc8N:
5.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		3 TRP A 125
VAL A 130
TRP A 124
 None
 1.47A 3zq8A-1kplA:
undetectable
3zq8B-1kplA:
undetectable		 3zq8A-1kplA:
4.78
3zq8B-1kplA:
4.78
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A 195
VAL A 220
TRP A 211
 None
 1.27A 3zq8A-1mwoA:
undetectable
3zq8B-1mwoA:
undetectable		 3zq8A-1mwoA:
5.71
3zq8B-1mwoA:
5.71
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A 214
VAL A 208
TRP A 215
 None
 1.42A 3zq8A-1mwoA:
undetectable
3zq8B-1mwoA:
undetectable		 3zq8A-1mwoA:
5.71
3zq8B-1mwoA:
5.71
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A 215
VAL A 207
TRP A 214
 None
 1.26A 3zq8A-1mwoA:
undetectable
3zq8B-1mwoA:
undetectable		 3zq8A-1mwoA:
5.71
3zq8B-1mwoA:
5.71
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A 215
VAL A 208
TRP A 214
 None
 1.43A 3zq8A-1mwoA:
undetectable
3zq8B-1mwoA:
undetectable		 3zq8A-1mwoA:
5.71
3zq8B-1mwoA:
5.71
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.
1qot CHITIN BINDING
LECTIN, UEA-II

(Ulex europaeus) 		PF00139
(Lectin_legB) 		3 TRP A 160
VAL A 167
TRP A 162
 None
 1.36A 3zq8A-1qotA:
undetectable
3zq8B-1qotA:
undetectable		 3zq8A-1qotA:
5.58
3zq8B-1qotA:
5.58
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.
1rcq CATABOLIC ALANINE
RACEMASE DADX

(Pseudomonas
aeruginosa) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		3 TRP A  96
VAL A 150
TRP A 120
 None
 1.19A 3zq8A-1rcqA:
undetectable
3zq8B-1rcqA:
undetectable		 3zq8A-1rcqA:
4.32
3zq8B-1rcqA:
4.32
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.
1s72 50S RIBOSOMAL
PROTEIN L15E

(Haloarcula
marismortui) 		PF00827
(Ribosomal_L15e) 		3 TRP M  31
VAL M  37
TRP M 128
 None
 1.28A 3zq8A-1s72M:
undetectable
3zq8B-1s72M:
undetectable		 3zq8A-1s72M:
5.33
3zq8B-1s72M:
5.33
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 TRP A 466
VAL A 402
TRP A 464
 None
MAN  A 509 (-4.8A)
None
 1.26A 3zq8A-1v0zA:
undetectable
3zq8B-1v0zA:
undetectable		 3zq8A-1v0zA:
4.31
3zq8B-1v0zA:
4.31
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.
1vl8 GLUCONATE
5-DEHYDROGENASE

(Thermotoga
maritima) 		PF13561
(adh_short_C2) 		3 TRP A 252
VAL A 248
TRP A 192
 None
 1.36A 3zq8A-1vl8A:
undetectable
3zq8B-1vl8A:
undetectable		 3zq8A-1vl8A:
3.00
3zq8B-1vl8A:
3.00
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 TRP A 465
VAL A 525
TRP A 520
 None
 1.33A 3zq8A-1wkbA:
undetectable
3zq8B-1wkbA:
undetectable		 3zq8A-1wkbA:
1.85
3zq8B-1wkbA:
1.85
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 TRP A 465
VAL A 525
TRP A 520
 None
 1.28A 3zq8A-1wz2A:
undetectable
3zq8B-1wz2A:
undetectable		 3zq8A-1wz2A:
1.85
3zq8B-1wz2A:
1.85
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT

(Methylococcus
capsulatus) 		PF04744
(Monooxygenase_B) 		3 TRP A 202
VAL A 200
TRP A 206
 None
 1.18A 3zq8A-1yewA:
undetectable
3zq8B-1yewA:
undetectable		 3zq8A-1yewA:
3.53
3zq8B-1yewA:
3.53
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.
2odo ALANINE RACEMASE

(Pseudomonas
fluorescens) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		3 TRP A  96
VAL A 150
TRP A 120
 None
 1.20A 3zq8A-2odoA:
undetectable
3zq8B-2odoA:
undetectable		 3zq8A-2odoA:
4.64
3zq8B-2odoA:
4.64
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.
2ver AFIMBRIAL ADHESIN
AFA-III

(Escherichia
coli) 		PF04619
(Adhesin_Dr) 		3 TRP A  92
VAL A  89
TRP A  77
 None
 1.24A 3zq8A-2verA:
undetectable
3zq8B-2verA:
undetectable		 3zq8A-2verA:
9.48
3zq8B-2verA:
9.48
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.
3d4u CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		3 TRP A  73
VAL A 113
TRP A 120
 None
 1.15A 3zq8A-3d4uA:
undetectable
3zq8B-3d4uA:
undetectable		 3zq8A-3d4uA:
5.59
3zq8B-3d4uA:
5.59
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.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		3 TRP A 193
VAL A 209
TRP A 253
 None
 1.43A 3zq8A-3dp7A:
undetectable
3zq8B-3dp7A:
undetectable		 3zq8A-3dp7A:
4.12
3zq8B-3dp7A:
4.12
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.
3e53 FATTY-ACID-COA
LIGASE FADD28

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		3 TRP A 216
VAL A 240
TRP A 254
 None
 1.36A 3zq8A-3e53A:
undetectable
3zq8B-3e53A:
undetectable		 3zq8A-3e53A:
3.00
3zq8B-3e53A:
3.00
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		3 TRP A 463
VAL A 522
TRP A 484
 None
 1.15A 3zq8A-3fahA:
undetectable
3zq8B-3fahA:
undetectable		 3zq8A-3fahA:
1.49
3zq8B-3fahA:
1.49
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.
3gwf CYCLOHEXANONE
MONOOXYGENASE

(Rhodococcus sp.
HI-31) 		PF00743
(FMO-like) 		3 TRP A 124
VAL A  13
TRP A 424
 None
 1.27A 3zq8A-3gwfA:
undetectable
3zq8B-3gwfA:
undetectable		 3zq8A-3gwfA:
8.80
3zq8B-3gwfA:
8.80
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.
3h2b SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		3 TRP A 112
VAL A 105
TRP A 166
 None
 1.14A 3zq8A-3h2bA:
undetectable
3zq8B-3h2bA:
undetectable		 3zq8A-3h2bA:
8.15
3zq8B-3h2bA:
8.15
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.
3lms CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		3 TRP A  73
VAL A 113
TRP A 120
 None
 1.12A 3zq8A-3lmsA:
undetectable
3zq8B-3lmsA:
undetectable		 3zq8A-3lmsA:
3.62
3zq8B-3lmsA:
3.62
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.
3osl CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		3 TRP A 185
VAL A 225
TRP A 232
 None
 1.15A 3zq8A-3oslA:
undetectable
3zq8B-3oslA:
undetectable		 3zq8A-3oslA:
3.42
3zq8B-3oslA:
3.42
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.
3ow8 WD REPEAT-CONTAINING
PROTEIN 61

(Homo sapiens) 		PF00400
(WD40) 		3 TRP A 278
VAL A  22
TRP A  20
 None
UNX  A 307 ( 4.4A)
None
 1.01A 3zq8A-3ow8A:
undetectable
3zq8B-3ow8A:
undetectable		 3zq8A-3ow8A:
11.11
3zq8B-3ow8A:
11.11
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.
3pvj ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Pseudomonas
putida) 		PF02668
(TauD) 		3 TRP A 126
VAL A 250
TRP A 246
 None
 1.45A 3zq8A-3pvjA:
undetectable
3zq8B-3pvjA:
undetectable		 3zq8A-3pvjA:
5.44
3zq8B-3pvjA:
5.44
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.
3pvj ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Pseudomonas
putida) 		PF02668
(TauD) 		3 TRP A 246
VAL A 250
TRP A 126
 None
 1.40A 3zq8A-3pvjA:
undetectable
3zq8B-3pvjA:
undetectable		 3zq8A-3pvjA:
5.44
3zq8B-3pvjA:
5.44
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A 195
VAL A 220
TRP A 211
 None
 1.24A 3zq8A-3qgvA:
undetectable
3zq8B-3qgvA:
undetectable		 3zq8A-3qgvA:
4.35
3zq8B-3qgvA:
4.35
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A 214
VAL A 208
TRP A 215
 None
 1.35A 3zq8A-3qgvA:
undetectable
3zq8B-3qgvA:
undetectable		 3zq8A-3qgvA:
4.35
3zq8B-3qgvA:
4.35
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A 215
VAL A 207
TRP A 214
 None
 1.18A 3zq8A-3qgvA:
undetectable
3zq8B-3qgvA:
undetectable		 3zq8A-3qgvA:
4.35
3zq8B-3qgvA:
4.35
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A 215
VAL A 208
TRP A 214
 None
 1.36A 3zq8A-3qgvA:
undetectable
3zq8B-3qgvA:
undetectable		 3zq8A-3qgvA:
4.35
3zq8B-3qgvA:
4.35
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.
3r0q PROBABLE PROTEIN
ARGININE
N-METHYLTRANSFERASE
4.2

(Arabidopsis
thaliana) 		no annotation 3 TRP C 291
VAL C 294
TRP C 180
 None
 1.19A 3zq8A-3r0qC:
undetectable
3zq8B-3r0qC:
undetectable		 3zq8A-3r0qC:
5.67
3zq8B-3r0qC:
5.67
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.
3ry6 LOW AFFINITY
IMMUNOGLOBULIN GAMMA
FC REGION RECEPTOR
II-A

(Homo sapiens) 		PF13895
(Ig_2) 		3 TRP C  90
VAL C  92
TRP C 113
 None
 1.48A 3zq8A-3ry6C:
undetectable
3zq8B-3ry6C:
undetectable		 3zq8A-3ry6C:
9.43
3zq8B-3ry6C:
9.43
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.
3ry6 LOW AFFINITY
IMMUNOGLOBULIN GAMMA
FC REGION RECEPTOR
II-A

(Homo sapiens) 		PF13895
(Ig_2) 		3 TRP C 113
VAL C  92
TRP C  90
 None
 1.32A 3zq8A-3ry6C:
undetectable
3zq8B-3ry6C:
undetectable		 3zq8A-3ry6C:
9.43
3zq8B-3ry6C:
9.43
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.
3v65 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4

(Rattus
norvegicus) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		3 TRP B 573
VAL B 615
TRP B 599
 None
 1.21A 3zq8A-3v65B:
undetectable
3zq8B-3v65B:
undetectable		 3zq8A-3v65B:
5.66
3zq8B-3v65B:
5.66
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		3 TRP A 600
VAL A  28
TRP A 604
 None
 1.23A 3zq8A-3zukA:
undetectable
3zq8B-3zukA:
undetectable		 3zq8A-3zukA:
2.54
3zq8B-3zukA:
2.54
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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		3 TRP A 538
VAL A 534
TRP A 457
 None
 1.14A 3zq8A-4cj0A:
undetectable
3zq8B-4cj0A:
undetectable		 3zq8A-4cj0A:
2.13
3zq8B-4cj0A:
2.13
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.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas sp.
C18;
Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		3 TRP A 211
VAL A 209
TRP B 107
 None
 1.47A 3zq8A-4hjlA:
undetectable
3zq8B-4hjlA:
undetectable		 3zq8A-4hjlA:
4.48
3zq8B-4hjlA:
4.48
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.
4hr3 PUTATIVE ACYL-COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 TRP A 175
VAL A 237
TRP A 176
 None
None
FAD  A 501 (-4.5A)
 1.18A 3zq8A-4hr3A:
undetectable
3zq8B-4hr3A:
undetectable		 3zq8A-4hr3A:
4.10
3zq8B-4hr3A:
4.10
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		3 TRP A 193
VAL A 170
TRP A 194
 None
 1.03A 3zq8A-4jsoA:
undetectable
3zq8B-4jsoA:
undetectable		 3zq8A-4jsoA:
2.43
3zq8B-4jsoA:
2.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36) 		3 TRP A 270
VAL A 273
TRP A 279
 None
 1.23A 3zq8A-4k90A:
undetectable
3zq8B-4k90A:
undetectable		 3zq8A-4k90A:
3.83
3zq8B-4k90A:
3.83
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.
4lzi MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		3 TRP A 174
VAL A  50
TRP A  76
 None
 1.31A 3zq8A-4lziA:
undetectable
3zq8B-4lziA:
undetectable		 3zq8A-4lziA:
4.69
3zq8B-4lziA:
4.69
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.
4orz PROTEIN NEF

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		3 TRP B 187
VAL B 150
TRP B 106
 None
 1.17A 3zq8A-4orzB:
undetectable
3zq8B-4orzB:
undetectable		 3zq8A-4orzB:
18.37
3zq8B-4orzB:
18.37
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.
4quv DELTA(14)-STEROL
REDUCTASE

(Methylomicrobium
alcaliphilum) 		PF01222
(ERG4_ERG24) 		3 TRP A 265
VAL A 155
TRP A 269
 None
 1.21A 3zq8A-4quvA:
undetectable
3zq8B-4quvA:
undetectable		 3zq8A-4quvA:
3.41
3zq8B-4quvA:
3.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		3 TRP A 122
VAL A 116
TRP A 177
 None
 1.50A 3zq8A-4qyjA:
undetectable
3zq8B-4qyjA:
undetectable		 3zq8A-4qyjA:
3.83
3zq8B-4qyjA:
3.83
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 3 TRP A  72
VAL A 139
TRP A 211
 None
 1.50A 3zq8A-4r1dA:
undetectable
3zq8B-4r1dA:
undetectable		 3zq8A-4r1dA:
3.56
3zq8B-4r1dA:
3.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 3 TRP A 211
VAL A 139
TRP A  72
 None
 1.46A 3zq8A-4r1dA:
undetectable
3zq8B-4r1dA:
undetectable		 3zq8A-4r1dA:
3.56
3zq8B-4r1dA:
3.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7k HYPOTHETICAL PROTEIN
JHP0584

(Helicobacter
pylori) 		no annotation 3 TRP A  46
VAL A  36
TRP A 158
 None
 1.39A 3zq8A-4r7kA:
undetectable
3zq8B-4r7kA:
undetectable		 3zq8A-4r7kA:
12.35
3zq8B-4r7kA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		3 TRP A 328
VAL A 326
TRP A 332
 None
 1.17A 3zq8A-4rp8A:
undetectable
3zq8B-4rp8A:
undetectable		 3zq8A-4rp8A:
7.36
3zq8B-4rp8A:
7.36
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.
4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01964
(ThiC_Rad_SAM) 		3 TRP A 247
VAL A 245
TRP A 251
 None
 1.03A 3zq8A-4s28A:
undetectable
3zq8B-4s28A:
undetectable		 3zq8A-4s28A:
3.87
3zq8B-4s28A:
3.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		3 TRP A 881
VAL A 922
TRP A 914
 None
None
GOL  A1005 ( 4.8A)
 1.28A 3zq8A-4zmhA:
undetectable
3zq8B-4zmhA:
undetectable		 3zq8A-4zmhA:
2.77
3zq8B-4zmhA:
2.77
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.
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		3 TRP B 429
VAL B 471
TRP B 455
 None
 1.06A 3zq8A-5b4xB:
undetectable
3zq8B-5b4xB:
undetectable		 3zq8A-5b4xB:
2.23
3zq8B-5b4xB:
2.23
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.
5e66 HEMAGGLUTININ-ESTERA
SE

(Influenza D
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		3 TRP A 179
VAL A 300
TRP A 185
 None
None
5KQ  A 513 ( 4.8A)
 1.50A 3zq8A-5e66A:
undetectable
3zq8B-5e66A:
undetectable		 3zq8A-5e66A:
4.43
3zq8B-5e66A:
4.43
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		3 TRP A 138
VAL A 141
TRP A 164
 None
 1.02A 3zq8A-5gjeA:
undetectable
3zq8B-5gjeA:
undetectable		 3zq8A-5gjeA:
8.50
3zq8B-5gjeA:
8.50
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.
5h5z MHC CLASS I ANTIGEN

(Ctenopharyngodon
idella) 		no annotation 3 TRP A 130
VAL A 138
TRP A 144
 None
 1.43A 3zq8A-5h5zA:
undetectable
3zq8B-5h5zA:
undetectable		 3zq8A-5h5zA:
undetectable
3zq8B-5h5zA:
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 TRP A 163
VAL A 203
TRP A 210
 None
 1.15A 3zq8A-5hvfA:
undetectable
3zq8B-5hvfA:
undetectable		 3zq8A-5hvfA:
3.07
3zq8B-5hvfA:
3.07
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.
5i20 UNCHARACTERIZED
PROTEIN

(Starkeya
novella) 		PF00892
(EamA) 		3 TRP A 101
VAL A 161
TRP A 163
 OLC  A 301 (-3.8A)
None
OLC  A 301 (-3.8A)
 1.50A 3zq8A-5i20A:
undetectable
3zq8B-5i20A:
undetectable		 3zq8A-5i20A:
5.70
3zq8B-5i20A:
5.70
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.
5i6s ENDOGLUCANASE

(Talaromyces
verruculosus) 		PF00150
(Cellulase) 		3 TRP A 237
VAL A 232
TRP A 185
 None
 0.80A 3zq8A-5i6sA:
undetectable
3zq8B-5i6sA:
undetectable		 3zq8A-5i6sA:
5.60
3zq8B-5i6sA:
5.60
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 3 TRP A 309
VAL A 281
TRP A 333
 None
 1.49A 3zq8A-5nd1A:
undetectable
3zq8B-5nd1A:
undetectable		 3zq8A-5nd1A:
undetectable
3zq8B-5nd1A:
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		3 TRP A  36
VAL A  47
TRP A  34
 None
 1.44A 3zq8A-5o1mA:
undetectable
3zq8B-5o1mA:
undetectable		 3zq8A-5o1mA:
4.94
3zq8B-5o1mA:
4.94
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.
5txf PHOSPHATIDYLCHOLINE-
STEROL
ACYLTRANSFERASE

(Homo sapiens) 		no annotation 3 TRP A 146
VAL A 109
TRP A  61
 None
 1.38A 3zq8A-5txfA:
undetectable
3zq8B-5txfA:
undetectable		 3zq8A-5txfA:
2.78
3zq8B-5txfA:
2.78
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.
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 3 TRP A  29
VAL A  27
TRP A  32
 None
 1.16A 3zq8A-6aqfA:
undetectable
3zq8B-6aqfA:
undetectable		 3zq8A-6aqfA:
undetectable
3zq8B-6aqfA:
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.
6cxh PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT

(Methylomicrobium
alcaliphilum) 		no annotation 3 TRP A 202
VAL A 200
TRP A 206
 None
CM5  A 502 ( 4.9A)
None
 1.10A 3zq8A-6cxhA:
undetectable
3zq8B-6cxhA:
undetectable		 3zq8A-6cxhA:
undetectable
3zq8B-6cxhA:
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.
6f34 AMINO ACID
TRANSPORTER

(Geobacillus
kaustophilus) 		no annotation 3 TRP A 442
VAL A 440
TRP A 110
 None
 1.32A 3zq8A-6f34A:
undetectable
3zq8B-6f34A:
undetectable		 3zq8A-6f34A:
undetectable
3zq8B-6f34A:
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.
6gqd GALACTOSE-1-PHOSPHAT
E
URIDYLYLTRANSFERASE

(Homo sapiens) 		no annotation 3 TRP A 154
VAL A 168
TRP A 300
 None
 1.44A 3zq8A-6gqdA:
undetectable
3zq8B-6gqdA:
undetectable		 3zq8A-6gqdA:
undetectable
3zq8B-6gqdA:
undetectable