SIMILAR PATTERNS OF AMINO ACIDS FOR 2PK4_A_ACAA100_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b2i PROTEIN
(PLASMINOGEN)

(Homo sapiens) 		PF00051
(Kringle) 		5 ASP A  55
TRP A  62
PHE A  64
ARG A  71
TRP A  72
 AMH  A  84 (-1.7A)
AMH  A  84 (-3.0A)
AMH  A  84 (-4.7A)
AMH  A  84 (-3.6A)
AMH  A  84 (-2.5A)
 1.11A 2pk4A-1b2iA:
12.6		 2pk4A-1b2iA:
48.78
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.
1evl THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 LYS A 284
ASP A 406
PHE A 280
ARG A 635
 None
 1.32A 2pk4A-1evlA:
undetectable		 2pk4A-1evlA:
11.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kiv APOLIPOPROTEIN A

(Homo sapiens) 		PF00051
(Kringle) 		6 ASP A  55
ASP A  57
TRP A  62
PHE A  64
ARG A  71
TRP A  72
 None
 0.54A 2pk4A-1kivA:
16.9		 2pk4A-1kivA:
84.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pkr PLASMINOGEN

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  55
ASP A  57
TRP A  62
ARG A  71
 CL  A  91 ( 4.7A)
None
None
CL  A  90 (-3.6A)
 0.56A 2pk4A-1pkrA:
16.0		 2pk4A-1pkrA:
51.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pml TISSUE PLASMINOGEN
ACTIVATOR KRINGLE 2

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  55
ASP A  57
TRP A  62
TRP A  72
 None
 0.39A 2pk4A-1pmlA:
13.1		 2pk4A-1pmlA:
44.71
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.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		4 LYS A 284
ASP A 406
PHE A 280
ARG A 635
 None
 1.36A 2pk4A-1qf6A:
undetectable		 2pk4A-1qf6A:
7.78
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.
1t62 CONSERVED
HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF04266
(ASCH) 		4 ASP A1072
ASP A1024
TRP A1026
PHE A1028
 None
 1.32A 2pk4A-1t62A:
undetectable		 2pk4A-1t62A:
19.85
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.
2doi ANGIOSTATIN

(Homo sapiens) 		no annotation 4 ASP X 137
ASP X 139
TRP X 144
ARG X 153
 None
 0.34A 2pk4A-2doiX:
15.5		 2pk4A-2doiX:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2doi ANGIOSTATIN

(Homo sapiens) 		no annotation 4 ASP X 219
TRP X 225
PHE X 227
TRP X 235
 None
 0.73A 2pk4A-2doiX:
15.5		 2pk4A-2doiX:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2doi ANGIOSTATIN

(Homo sapiens) 		no annotation 4 TRP X 225
PHE X 227
ARG X 234
TRP X 235
 None
 0.73A 2pk4A-2doiX:
15.5		 2pk4A-2doiX:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fa0 HMG-COA SYNTHASE

(Brassica juncea) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 LYS A 234
ASP A 265
PHE A 228
ARG A 351
 None
 1.16A 2pk4A-2fa0A:
undetectable		 2pk4A-2fa0A:
9.33
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LYS A 231
ASP A 228
PHE A 172
TRP A 148
 None
 1.25A 2pk4A-2hckA:
undetectable		 2pk4A-2hckA:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2juh TELOMERE BINDING
PROTEIN TBP1

(Nicotiana
glutinosa) 		PF00249
(Myb_DNA-binding) 		4 ASP A 618
ASP A 621
PHE A 580
ARG A 578
 None
 1.44A 2pk4A-2juhA:
undetectable		 2pk4A-2juhA:
12.50
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		4 LYS A 318
ASP A 330
ARG A 238
TRP A 336
 None
 1.30A 2pk4A-2o3eA:
undetectable		 2pk4A-2o3eA:
7.42
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.
2vwk DNA POLYMERASE

(Thermococcus
gorgonarius) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ASP A 141
ASP A 315
PHE A 214
ARG A 694
 None
 1.37A 2pk4A-2vwkA:
undetectable		 2pk4A-2vwkA:
7.61
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.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		4 ASP A 230
ASP A 232
PHE A  13
TRP A  31
 GOL  A1270 (-3.7A)
None
C2F  A3000 (-3.9A)
None
 1.22A 2pk4A-2ycjA:
undetectable		 2pk4A-2ycjA:
13.06
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		4 ASP A 117
ASP A 443
PHE A 278
ARG A 451
 MG  A   1 ( 4.7A)
None
None
None
 1.27A 2pk4A-3cuxA:
undetectable		 2pk4A-3cuxA:
10.51
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.
3cv2 MALATE SYNTHASE A

(Escherichia
coli) 		PF01274
(Malate_synthase) 		4 ASP A 120
ASP A 447
PHE A 281
ARG A 455
 MG  A   1 ( 4.7A)
CSO  A 438 ( 4.8A)
None
None
 1.30A 2pk4A-3cv2A:
undetectable		 2pk4A-3cv2A:
12.09
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 LYS A  45
ASP A1025
ASP A1022
PHE A  49
 None
 1.03A 2pk4A-3dy5A:
undetectable		 2pk4A-3dy5A:
5.84
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.
3g7s LONG-CHAIN-FATTY-ACI
D--COA LIGASE
(FADD-1)

(Archaeoglobus
fulgidus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LYS A 366
TRP A 407
PHE A 415
ARG A 413
 None
 1.25A 2pk4A-3g7sA:
undetectable		 2pk4A-3g7sA:
7.95
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.
3n07 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE

(Vibrio cholerae) 		PF08282
(Hydrolase_3) 		4 LYS A  49
ASP A  31
ASP A  29
PHE A  51
 None
None
MG  A 200 (-2.5A)
None
 1.44A 2pk4A-3n07A:
undetectable		 2pk4A-3n07A:
17.28
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.
3o6f HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DRB1-4 BETA
CHAIN

(Homo sapiens) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		4 LYS B 100
ASP B  57
ARG B   9
TRP B  90
 None
 1.22A 2pk4A-3o6fB:
undetectable		 2pk4A-3o6fB:
15.42
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		4 LYS A 578
ASP A 494
ASP A 495
PHE A 571
 None
 1.43A 2pk4A-3ut2A:
undetectable		 2pk4A-3ut2A:
6.82
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ASP A 520
TRP A 526
PHE A 547
ARG A 545
 None
 1.47A 2pk4A-3v9fA:
undetectable		 2pk4A-3v9fA:
7.59
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ASP A 594
TRP A 600
PHE A 620
ARG A 618
 None
 0.71A 2pk4A-4a2lA:
undetectable		 2pk4A-4a2lA:
7.71
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.
4acj WU:FB25H12 PROTEIN,

(Danio rerio) 		PF07534
(TLD) 		4 LYS A 745
ASP A 747
ASP A 749
PHE A 760
 None
 1.02A 2pk4A-4acjA:
undetectable		 2pk4A-4acjA:
17.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bvw APOLIPOPROTEIN(A)

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  54
TRP A  60
ARG A  69
TRP A  70
 HKY  A1080 (-3.0A)
HKY  A1080 (-3.6A)
HKY  A1080 (-3.5A)
HKY  A1080 (-3.5A)
 0.50A 2pk4A-4bvwA:
18.1		 2pk4A-4bvwA:
61.22
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.
4ce7 UNSATURATED
3S-RHAMNOGLYCURONYL
HYDROLASE

(Nonlabens
ulvanivorans) 		PF07470
(Glyco_hydro_88) 		4 ASP A  89
TRP A  45
PHE A 346
ARG A 219
 None
 1.28A 2pk4A-4ce7A:
undetectable		 2pk4A-4ce7A:
9.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		4 ASP A 137
ASP A 139
TRP A 144
ARG A 153
 None
 0.90A 2pk4A-4duuA:
14.0		 2pk4A-4duuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		4 ASP A 219
TRP A 225
PHE A 227
ARG A 234
 None
 1.00A 2pk4A-4duuA:
14.0		 2pk4A-4duuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		4 ASP A 219
TRP A 225
PHE A 227
TRP A 235
 None
 0.69A 2pk4A-4duuA:
14.0		 2pk4A-4duuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		5 LYS A 392
ASP A 411
TRP A 417
PHE A 419
ARG A 426
 None
 0.99A 2pk4A-4duuA:
14.0		 2pk4A-4duuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		6 LYS A 392
ASP A 413
TRP A 417
PHE A 419
ARG A 426
TRP A 427
 None
 0.84A 2pk4A-4duuA:
14.0		 2pk4A-4duuA:
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.
4jkg PRE-MRNA-PROCESSING-
SPLICING FACTOR 8

(Homo sapiens) 		PF12134
(PRP8_domainIV) 		4 LYS B1838
ASP B1782
ASP B1781
ARG B1832
 None
None
MG  B2001 (-2.5A)
None
 1.31A 2pk4A-4jkgB:
undetectable		 2pk4A-4jkgB:
15.09
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.
4l7a UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		PF15890
(Peptidase_Mx1) 		4 LYS A 263
ASP A 256
PHE A 232
ARG A 278
 None
 1.49A 2pk4A-4l7aA:
undetectable		 2pk4A-4l7aA:
13.87
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.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		4 ASP A 215
TRP A 264
PHE A 232
ARG A 270
 None
 1.20A 2pk4A-5d8wA:
undetectable		 2pk4A-5d8wA:
12.28
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.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		4 ASP A  80
TRP A  58
PHE A  11
TRP A  17
 None
 1.47A 2pk4A-5esrA:
undetectable		 2pk4A-5esrA:
15.22
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.
5fhx ANTIBODY FRAGMENT
HEAVY-CHAIN
INTERLEUKIN-4

(Homo sapiens) 		PF00727
(IL4)
PF07654
(C1-set)
PF07686
(V-set) 		4 LYS A  77
ASP H  52
TRP H  33
PHE A  73
 PO4  H 401 ( 4.9A)
PO4  H 401 (-3.2A)
PO4  H 401 (-4.7A)
None
 1.47A 2pk4A-5fhxA:
undetectable		 2pk4A-5fhxA:
18.70
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.
5fws KREMEN PROTEIN 1

(Homo sapiens) 		PF00051
(Kringle)
PF00431
(CUB)
PF01822
(WSC) 		4 ASP A  88
ASP A  90
TRP A  94
TRP A 106
 None
 0.47A 2pk4A-5fwsA:
10.1		 2pk4A-5fwsA:
10.97
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.
5swv PENTAFUNCTIONAL AROM
POLYPEPTIDE

(Schizosaccharomyces
pombe) 		PF01487
(DHquinase_I)
PF08501
(Shikimate_dh_N) 		4 LYS C1498
ASP C1470
ASP C1468
ARG C1446
 None
 1.45A 2pk4A-5swvC:
undetectable		 2pk4A-5swvC:
9.45