SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_I_TFPI201_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f89 32.5 KDA PROTEIN
YLR351C

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		5 GLY A 167
PRO A 192
GLY A 151
CYH A  54
PHE A  55
 None
 1.11A 3ko0H-1f89A:
undetectable
3ko0I-1f89A:
undetectable		 3ko0H-1f89A:
18.02
3ko0I-1f89A:
18.02
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 PHE A 339
GLY A 338
GLY A 384
ILE A 394
PHE A 331
 None
None
None
None
EMM  A1999 (-4.7A)
 1.41A 3ko0H-1gqrA:
1.4
3ko0I-1gqrA:
1.5		 3ko0H-1gqrA:
11.35
3ko0I-1gqrA:
11.35
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.
1jfd INORGANIC
PYROPHOSPHATASE

(Escherichia
coli) 		PF00719
(Pyrophosphatase) 		5 GLY A  56
GLY A  82
ILE A  28
PHE A  50
PHE A 137
 None
 1.09A 3ko0H-1jfdA:
undetectable
3ko0I-1jfdA:
undetectable		 3ko0H-1jfdA:
20.67
3ko0I-1jfdA:
20.67
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.
1k9x M32 CARBOXYPEPTIDASE

(Pyrococcus
furiosus) 		PF02074
(Peptidase_M32) 		5 PHE A 420
GLY A 418
PRO A 421
GLY A 415
PHE A 176
 None
 1.49A 3ko0H-1k9xA:
undetectable
3ko0I-1k9xA:
0.0		 3ko0H-1k9xA:
13.54
3ko0I-1k9xA:
13.54
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLY A 143
GLY A 139
ILE A  67
CYH A 149
PHE A 152
 ANP  A 901 (-3.3A)
None
None
None
None
 1.20A 3ko0H-1pvgA:
undetectable
3ko0I-1pvgA:
0.0		 3ko0H-1pvgA:
12.17
3ko0I-1pvgA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		5 GLY A  43
GLY A  95
ILE A 282
PHE A 422
PHE A 425
 HEA  A 601 ( 4.1A)
HEA  A 601 ( 4.0A)
HEA  A 602 ( 4.7A)
None
None
 1.13A 3ko0H-1qleA:
undetectable
3ko0I-1qleA:
undetectable		 3ko0H-1qleA:
10.65
3ko0I-1qleA:
10.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 GLY P  72
PRO P  83
GLY P  55
ILE P 142
PHE P 217
 None
 1.33A 3ko0H-1svcP:
undetectable
3ko0I-1svcP:
undetectable		 3ko0H-1svcP:
15.82
3ko0I-1svcP:
15.82
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.
1zxn DNA TOPOISOMERASE
II, ALPHA ISOZYME

(Homo sapiens) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLY A 164
GLY A 160
ILE A  88
CYH A 170
PHE A 173
 ADP  A 901 (-3.1A)
None
None
None
None
 1.17A 3ko0H-1zxnA:
undetectable
3ko0I-1zxnA:
undetectable		 3ko0H-1zxnA:
13.07
3ko0I-1zxnA:
13.07
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.
2h57 ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
6

(Homo sapiens) 		PF00025
(Arf) 		5 PHE A 128
GLY A 167
ILE A  34
CYH A  22
PHE A  92
 None
 1.44A 3ko0H-2h57A:
undetectable
3ko0I-2h57A:
0.0		 3ko0H-2h57A:
18.65
3ko0I-2h57A:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w1v NITRILASE HOMOLOG 2

(Mus musculus) 		PF00795
(CN_hydrolase) 		5 GLY A 189
PRO A 214
GLY A 173
CYH A  82
PHE A  83
 None
 1.18A 3ko0H-2w1vA:
undetectable
3ko0I-2w1vA:
undetectable		 3ko0H-2w1vA:
18.91
3ko0I-2w1vA:
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.
2yq0 ORF 73

(Human
gammaherpesvirus
8) 		no annotation 5 PHE A1077
GLY A1078
GLY A1043
ILE A1024
CYH A1027
 None
 1.08A 3ko0H-2yq0A:
undetectable
3ko0I-2yq0A:
undetectable		 3ko0H-2yq0A:
16.88
3ko0I-2yq0A:
16.88
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 PHE A 456
GLY A 460
GLY A 482
ILE A 318
PHE A 325
 None
 1.24A 3ko0H-3a1iA:
undetectable
3ko0I-3a1iA:
undetectable		 3ko0H-3a1iA:
10.17
3ko0I-3a1iA:
10.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m6i L-ARABINITOL
4-DEHYDROGENASE

(Neurospora
crassa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A  59
GLY A  63
GLY A  66
CYH A  53
PHE A 344
 None
None
None
ZN  A 401 (-2.0A)
None
 1.18A 3ko0H-3m6iA:
undetectable
3ko0I-3m6iA:
0.0		 3ko0H-3m6iA:
14.89
3ko0I-3m6iA:
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 GLY A  41
GLY A 103
ILE A 290
PHE A 430
PHE A 433
 HEA  A   1 ( 4.1A)
HEA  A   1 ( 3.8A)
HEA  A   2 ( 4.5A)
None
None
 1.28A 3ko0H-3omnA:
undetectable
3ko0I-3omnA:
undetectable		 3ko0H-3omnA:
11.48
3ko0I-3omnA:
11.48
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 PHE A 424
GLY A 425
PRO A 264
GLY A 432
ILE A 391
 None
None
None
FDA  A 502 (-4.6A)
EPE  A 506 ( 4.8A)
 1.42A 3ko0H-4dshA:
undetectable
3ko0I-4dshA:
undetectable		 3ko0H-4dshA:
10.67
3ko0I-4dshA:
10.67
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		5 GLY A 203
GLY A 267
ILE A 133
CYH A 272
PHE A 230
 None
 1.44A 3ko0H-4hcxA:
undetectable
3ko0I-4hcxA:
undetectable		 3ko0H-4hcxA:
13.79
3ko0I-4hcxA:
13.79
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.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 353
PRO A 347
GLY A  45
ILE A 301
CYH A 305
 None
 1.16A 3ko0H-4izgA:
undetectable
3ko0I-4izgA:
0.0		 3ko0H-4izgA:
11.51
3ko0I-4izgA:
11.51
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.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 PRO A 152
GLY A 183
ILE A 212
CYH A 121
PHE A 129
 None
 1.35A 3ko0H-4kp2A:
undetectable
3ko0I-4kp2A:
0.0		 3ko0H-4kp2A:
12.53
3ko0I-4kp2A:
12.53
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		5 PHE A 246
GLY A  96
GLY A  46
ILE A 276
PHE A 136
 None
 0.84A 3ko0H-4p8bA:
undetectable
3ko0I-4p8bA:
undetectable		 3ko0H-4p8bA:
15.50
3ko0I-4p8bA:
15.50
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.
4r2f EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudarthrobacter
chlorophenolicus) 		PF01547
(SBP_bac_1) 		5 PHE A 326
GLY A 118
PRO A 327
GLY A 413
ILE A 227
 LB2  A 501 (-4.0A)
LB2  A 501 (-3.3A)
None
None
None
 1.48A 3ko0H-4r2fA:
undetectable
3ko0I-4r2fA:
0.0		 3ko0H-4r2fA:
12.27
3ko0I-4r2fA:
12.27
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A 150
PRO A 294
GLY A  31
PHE C  75
PHE A 300
 None
None
SF4  A 503 (-3.5A)
None
None
 1.19A 3ko0H-5aa5A:
undetectable
3ko0I-5aa5A:
undetectable		 3ko0H-5aa5A:
16.41
3ko0I-5aa5A:
16.41
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A 150
PRO A 294
GLY A  97
PHE C  75
PHE A 300
 None
None
SF4  A 503 ( 4.3A)
None
None
 1.23A 3ko0H-5aa5A:
undetectable
3ko0I-5aa5A:
undetectable		 3ko0H-5aa5A:
16.41
3ko0I-5aa5A:
16.41
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A 150
PRO A 294
ILE C  80
PHE C  75
PHE A 300
 None
 1.39A 3ko0H-5aa5A:
undetectable
3ko0I-5aa5A:
undetectable		 3ko0H-5aa5A:
16.41
3ko0I-5aa5A:
16.41
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		5 GLY A  74
GLY A  59
ILE A  21
CYH A  23
PHE A 161
 None
 1.37A 3ko0H-5jheA:
undetectable
3ko0I-5jheA:
undetectable		 3ko0H-5jheA:
14.83
3ko0I-5jheA:
14.83
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.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN

(Azotobacter
vinelandii) 		no annotation 5 GLY E 196
PRO E 195
GLY E 446
PHE E 428
PHE E  68
 None
 1.49A 3ko0H-5n6yE:
undetectable
3ko0I-5n6yE:
undetectable		 3ko0H-5n6yE:
12.18
3ko0I-5n6yE:
12.18
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.
5oom 39S RIBOSOMAL
PROTEIN L27,
MITOCHONDRIAL

(Homo sapiens) 		PF01016
(Ribosomal_L27) 		5 GLY W  78
PRO W  77
ILE W  66
CYH W  88
PHE W  73
 None
None
A  A2861 ( 3.9A)
C  A2872 ( 3.0A)
None
 1.45A 3ko0H-5oomW:
1.6
3ko0I-5oomW:
2.0		 3ko0H-5oomW:
19.86
3ko0I-5oomW:
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 PHE A  98
GLY A 177
PRO A  95
ILE A 140
PHE A 110
 None
 0.98A 3ko0H-5v1wA:
undetectable
3ko0I-5v1wA:
undetectable		 3ko0H-5v1wA:
9.53
3ko0I-5v1wA:
9.53
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.
5xun ACETYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF13673
(Acetyltransf_10) 		5 GLY A 128
PRO A  90
ILE A 168
PHE A 133
PHE A  70
 None
 1.47A 3ko0H-5xunA:
undetectable
3ko0I-5xunA:
undetectable		 3ko0H-5xunA:
21.39
3ko0I-5xunA:
21.39
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 GLY A 320
GLY A 372
ILE A 334
PHE A 487
PHE A  51
 None
 1.32A 3ko0H-6bzcA:
0.6
3ko0I-6bzcA:
0.5		 3ko0H-6bzcA:
27.08
3ko0I-6bzcA:
27.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cg6 CADHERIN-10

(Mus musculus) 		no annotation 5 PHE A  48
GLY A  43
ILE A  96
PHE A   7
PHE A  92
 None
 1.31A 3ko0H-6cg6A:
undetectable
3ko0I-6cg6A:
undetectable		 3ko0H-6cg6A:
20.79
3ko0I-6cg6A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cgu CADHERIN-6

(Mus musculus) 		no annotation 5 PHE A  48
GLY A  43
ILE A  96
PHE A   7
PHE A  92
 PHE  A  48 ( 1.3A)
GLY  A  43 ( 0.0A)
ILE  A  96 ( 0.7A)
PHE  A   7 ( 1.3A)
PHE  A  92 ( 1.3A)
 1.39A 3ko0H-6cguA:
undetectable
3ko0I-6cguA:
undetectable		 3ko0H-6cguA:
18.00
3ko0I-6cguA:
18.00
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 GLY A 119
GLY A 153
ILE A  93
PHE A 100
PHE A  68
 None
 1.18A 3ko0H-6d0nA:
0.4
3ko0I-6d0nA:
0.3		 3ko0H-6d0nA:
24.24
3ko0I-6d0nA:
24.24
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.
9rub RIBULOSE-1,5-BISPHOS
PHATE CARBOXYLASE

(Rhodospirillum
rubrum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 PHE A 397
GLY A 398
PRO A 403
GLY A 370
ILE A 164
 None
None
None
None
FMT  A 601 ( 3.8A)
 1.15A 3ko0H-9rubA:
undetectable
3ko0I-9rubA:
undetectable		 3ko0H-9rubA:
13.22
3ko0I-9rubA:
13.22