SIMILAR PATTERNS OF AMINO ACIDS FOR 6C2M_A_SUEA1202_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.
1a87 COLICIN N

(Escherichia
coli) 		PF01024
(Colicin) 		5 ASP A 102
ARG A 108
ALA A 125
SER A 127
ASP A 124
 None
 1.14A 6c2mA-1a87A:
0.0		 6c2mA-1a87A:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aif ANTI-IDIOTYPIC FAB
409.5.3 (IGG2A) FAB
(HEAVY CHAIN)

(Mus musculus) 		no annotation 5 ARG H  38
ALA H  90
VAL H 119
SER H 120
ASP H  92
 None
 1.40A 6c2mA-1aifH:
undetectable		 6c2mA-1aifH:
18.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		6 VAL A  55
ASP A  81
LYS A 136
ALA A 157
VAL A 158
ASP A 168
 None
 0.71A 6c2mA-1cu1A:
34.7		 6c2mA-1cu1A:
47.97
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.
1fgv H52 FV (HEAVY CHAIN)

(Homo sapiens) 		PF07686
(V-set) 		5 ARG H  38
ALA H  88
VAL H 122
SER H 123
ASP H  90
 ARG  H  38 ( 0.7A)
ALA  H  88 ( 0.0A)
VAL  H 122 ( 0.6A)
SER  H 123 ( 0.0A)
ASP  H  90 ( 0.6A)
 1.43A 6c2mA-1fgvH:
undetectable		 6c2mA-1fgvH:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fr9 MOLYBDOPTERIN-GUANIN
E DINUCLEOTIDE
BIOSYNTHESIS PROTEIN

(Escherichia
coli) 		PF12804
(NTP_transf_3) 		5 VAL A 169
HIS A 126
ARG A 112
ALA A 110
ASP A 108
 None
 1.11A 6c2mA-1fr9A:
0.0		 6c2mA-1fr9A:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		5 VAL A  55
ASP A  81
ALA A 157
VAL A 158
ASP A 168
 None
 0.74A 6c2mA-1ns3A:
30.5		 6c2mA-1ns3A:
39.37
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.
1ohq IMMUNOGLOBULIN

(Homo sapiens) 		PF07686
(V-set) 		5 ARG A  38
ALA A  88
VAL A 118
SER A 119
ASP A  90
 None
 1.41A 6c2mA-1ohqA:
undetectable		 6c2mA-1ohqA:
18.33
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		5 VAL A 672
ARG A 669
ALA A 545
SER A 554
ASP A 547
 None
 1.49A 6c2mA-1qb4A:
0.0		 6c2mA-1qb4A:
6.59
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.
2c7z 3-KETOACYL-COA
THIOLASE 2

(Arabidopsis
thaliana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ARG A 211
ALA A 217
VAL A 219
SER A 221
ASP A 215
 None
 1.29A 6c2mA-2c7zA:
0.0		 6c2mA-2c7zA:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 VAL A 197
ARG A 783
ALA A 785
VAL A 786
ASP A 938
 None
None
None
None
EPE  A1151 (-3.5A)
 1.24A 6c2mA-2eyqA:
undetectable		 6c2mA-2eyqA:
5.65
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.
2mcp IGA-KAPPA MCPC603
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ARG H  38
ALA H  90
VAL H 120
SER H 121
ASP H  92
 None
 1.35A 6c2mA-2mcpH:
undetectable		 6c2mA-2mcpH:
19.02
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.
2pa5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 9

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 HIS A 450
ARG A 458
ALA A 494
VAL A 495
SER A 496
 None
 1.22A 6c2mA-2pa5A:
undetectable		 6c2mA-2pa5A:
14.01
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.
2yjt ATP-DEPENDENT RNA
HELICASE SRMB

(Escherichia
coli) 		PF00271
(Helicase_C) 		5 VAL D 320
ARG D 335
ALA D 309
VAL D 307
ASP D 306
 None
 1.39A 6c2mA-2yjtD:
undetectable		 6c2mA-2yjtD:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 HIS A  37
ARG A  39
ALA A  12
SER A 133
ASP A  13
 GOL  A 659 ( 4.5A)
None
None
None
None
 1.41A 6c2mA-2zwsA:
undetectable		 6c2mA-2zwsA:
9.92
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.
3b9v HEAVY CHAIN VARIABLE
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		5 ARG A  38
ALA A  84
VAL A 111
SER A 112
ASP A  86
 None
 1.46A 6c2mA-3b9vA:
undetectable		 6c2mA-3b9vA:
21.74
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.
3d3u 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 VAL A 180
ALA A  17
VAL A  19
SER A  21
ASP A  15
 None
 1.43A 6c2mA-3d3uA:
undetectable		 6c2mA-3d3uA:
9.52
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.
3ehm SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 VAL A 213
HIS A 214
ARG A 212
VAL A 137
ASP A 136
 None
 1.45A 6c2mA-3ehmA:
undetectable		 6c2mA-3ehmA:
8.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 VAL A 194
HIS A 218
ALA A 151
VAL A 150
SER A 147
 None
None
None
GOL  A 402 (-4.8A)
SO4  A 403 ( 4.5A)
 1.45A 6c2mA-3fn4A:
undetectable		 6c2mA-3fn4A:
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.
3iy5 ANTIBODY FRAGMENT
IGG2A (HEAVY CHAIN)

(Mus musculus) 		PF07686
(V-set) 		5 ARG B 146
ALA B 198
VAL B 227
SER B 228
ASP B 200
 None
 1.40A 6c2mA-3iy5B:
undetectable		 6c2mA-3iy5B:
22.41
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.
3p9w HUMAN VEGF

(Homo sapiens) 		PF07686
(V-set) 		5 ARG B  38
ALA B  84
VAL B 111
SER B 112
ASP B  86
 ARG  B  38 ( 0.6A)
ALA  B  84 ( 0.0A)
VAL  B 111 ( 0.6A)
SER  B 112 ( 0.0A)
ASP  B  86 ( 0.5A)
 1.47A 6c2mA-3p9wB:
undetectable		 6c2mA-3p9wB:
23.73
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.
3qyc VH DOMAIN OF IGG
MOLECULE

(Homo sapiens) 		PF07686
(V-set) 		5 ARG A  40
ALA A  90
VAL A 125
SER A 126
ASP A  92
 None
 1.48A 6c2mA-3qycA:
undetectable		 6c2mA-3qycA:
20.27
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.
4c4o CARBONYL REDUCTASE
CPCR2

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 333
ASP A 147
ALA A  88
VAL A  87
SER A 138
 None
 1.35A 6c2mA-4c4oA:
undetectable		 6c2mA-4c4oA:
12.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ifd EXOSOME COMPLEX
COMPONENT RRP43

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH) 		5 ARG C 391
ALA C 385
VAL C 383
SER C 381
ASP C 387
 None
 1.46A 6c2mA-4ifdC:
undetectable		 6c2mA-4ifdC:
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A3940
HIS A3905
ALA A3714
VAL A3713
ASP A3712
 None
 1.37A 6c2mA-4kc5A:
undetectable		 6c2mA-4kc5A:
7.48
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.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		5 ARG A 165
ALA A 159
VAL A 157
SER A 156
ASP A 161
 None
 1.44A 6c2mA-4krfA:
undetectable		 6c2mA-4krfA:
7.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		7 VAL A  55
ASP A  81
LYS A 136
ARG A 155
ALA A 157
VAL A 158
ASP A 168
 None
2R8  A 301 (-3.6A)
GOL  A 310 ( 2.6A)
2R8  A 301 (-3.6A)
2R8  A 301 (-3.8A)
2R8  A 301 ( 4.4A)
2R8  A 301 ( 4.5A)
 0.32A 6c2mA-4nwkA:
34.6		 6c2mA-4nwkA:
95.00
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.
4od1 CAP256-VRC26.03
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ARG H  38
ALA H  84
VAL H 111
SER H 112
ASP H  86
 None
 1.40A 6c2mA-4od1H:
undetectable		 6c2mA-4od1H:
14.58
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.
4yzk TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Streptomyces
blastmyceticus) 		PF11991
(Trp_DMAT) 		5 HIS A 364
ASP A 327
LYS A  54
ALA A 354
ASP A 353
 None
 1.43A 6c2mA-4yzkA:
undetectable		 6c2mA-4yzkA:
13.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		6 VAL A1055
ASP A1081
ARG A1155
ALA A1157
VAL A1158
ASP A1168
 None
5RS  A1203 (-3.5A)
5RS  A1203 (-4.8A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 3.6A)
5RS  A1203 ( 4.0A)
 0.25A 6c2mA-5eqqA:
35.6		 6c2mA-5eqqA:
98.63
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.
5gs2 ANTI-MBP

(Homo sapiens) 		PF07686
(V-set) 		5 ARG H  38
ALA H  88
VAL H 125
SER H 126
ASP H  90
 None
 1.48A 6c2mA-5gs2H:
undetectable		 6c2mA-5gs2H:
16.17
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.
5nnl INACTIVE
DIHYDROOROTASE-LIKE
DOMAIN

(Chaetomium
thermophilum) 		no annotation 5 VAL A1588
ARG A1586
ALA A1580
VAL A1579
SER A1576
 None
 1.45A 6c2mA-5nnlA:
undetectable		 6c2mA-5nnlA:
11.70
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.
5sy5 ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 VAL A 304
HIS A 302
ARG A 266
VAL A 218
ASP A 217
 None
 1.37A 6c2mA-5sy5A:
undetectable		 6c2mA-5sy5A:
13.84
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.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		5 VAL A 248
HIS A 249
ALA A 240
VAL A 237
SER A 236
 None
 1.23A 6c2mA-5tqiA:
undetectable		 6c2mA-5tqiA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrv PROTEIN REGULATED BY
ACID PH

(Agrobacterium
fabrum) 		PF09924
(DUF2156) 		5 VAL A 839
ARG A 616
ALA A 852
VAL A 854
ASP A 851
 None
 1.24A 6c2mA-5vrvA:
undetectable		 6c2mA-5vrvA:
12.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 5 VAL A  55
ASP A  81
ALA A 157
VAL A 158
ASP A 168
 None
 0.42A 6c2mA-5wdxA:
27.2		 6c2mA-5wdxA:
37.01
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.
5whm ICLR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Brucella
abortus) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 VAL A 247
HIS A 242
ALA A 237
VAL A 236
SER A 235
 None
None
None
None
ACY  A 301 (-3.4A)
 1.41A 6c2mA-5whmA:
undetectable		 6c2mA-5whmA:
14.79