SIMILAR PATTERNS OF AMINO ACIDS FOR 4L1X_B_STRB402_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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 TYR C 468
VAL A  69
ILE C 397
LEU C 451
LEU C 455
 None
 1.34A 4l1xB-1d7wC:
0.0		 4l1xB-1d7wC:
21.80
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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		5 TYR A 507
VAL A 235
ILE A 270
HIS A 477
LEU A 531
 None
 1.44A 4l1xB-1h79A:
2.9		 4l1xB-1h79A:
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.
1lnz SPO0B-ASSOCIATED
GTP-BINDING PROTEIN

(Bacillus
subtilis) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 ILE A 261
HIS A 221
GLU A 218
LEU A 270
LEU A 272
 None
 1.28A 4l1xB-1lnzA:
2.5		 4l1xB-1lnzA:
21.96
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.
1zrz PROTEIN KINASE C,
IOTA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 VAL A 464
ILE A 465
GLU A 436
LEU A 484
LEU A 488
 None
 1.47A 4l1xB-1zrzA:
0.0		 4l1xB-1zrzA:
23.24
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		5 TYR A 130
ILE A 396
GLU A 443
LEU A 518
LEU A 430
 None
 1.04A 4l1xB-2bxyA:
8.9		 4l1xB-2bxyA:
18.75
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 VAL A 248
ILE A 221
GLU A 174
LEU A 199
LEU A 440
 None
 1.11A 4l1xB-2dkdA:
0.0		 4l1xB-2dkdA:
22.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 TYR A  55
VAL A 128
ILE A 129
HIS A 222
GLU A 224
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
None
None
NAP  A   1 ( 4.8A)
None
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.82A 4l1xB-2ipjA:
56.3		 4l1xB-2ipjA:
98.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 TYR A  55
VAL A 128
ILE A 129
HIS A 222
TRP A 227
LEU A 306
LEU A 308
 FFA  A 325 ( 4.3A)
None
None
NAP  A   1 ( 4.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.83A 4l1xB-2ipjA:
56.3		 4l1xB-2ipjA:
98.15
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.
2m1m AUXIN-INDUCED
PROTEIN IAA4

(Pisum sativum) 		PF02309
(AUX_IAA) 		5 TYR A  64
VAL A  10
ILE A  23
LEU A  35
LEU A  38
 None
 1.43A 4l1xB-2m1mA:
undetectable		 4l1xB-2m1mA:
17.96
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.
2x77 ADP-RIBOSYLATION
FACTOR

(Leishmania
major) 		PF00025
(Arf) 		5 VAL A 159
ILE A 158
TRP A 156
LEU A 114
LEU A 110
 None
 1.21A 4l1xB-2x77A:
0.8		 4l1xB-2x77A:
19.87
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 TYR A 302
VAL A 437
ILE A 441
LEU A 691
LEU A 688
 None
 1.39A 4l1xB-2xzoA:
undetectable		 4l1xB-2xzoA:
19.90
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.
3el6 ERYTHROMYCIN
DEHYDRATASE

(Saccharopolyspora
erythraea) 		PF14765
(PS-DH) 		5 TYR A 158
TYR A 168
VAL A 203
HIS A 157
LEU A 214
 None
 1.46A 4l1xB-3el6A:
undetectable		 4l1xB-3el6A:
23.71
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.
3iby FERROUS IRON
TRANSPORT PROTEIN B

(Legionella
pneumophila) 		PF02421
(FeoB_N) 		5 TYR A 201
ILE A 182
GLU A 209
LEU A 173
LEU A 175
 None
 1.48A 4l1xB-3ibyA:
undetectable		 4l1xB-3ibyA:
22.15
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 TYR B 140
ILE B 114
GLU B 195
LEU B 268
LEU B 203
 None
 1.04A 4l1xB-3p8cB:
undetectable		 4l1xB-3p8cB:
15.57
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.
3tzw POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		PF00698
(Acyl_transf_1) 		5 VAL A 774
ILE A 823
GLU A 923
LEU A 916
LEU A 963
 None
 1.38A 4l1xB-3tzwA:
undetectable		 4l1xB-3tzwA:
22.78
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.
4az1 TYROSINE SPECIFIC
PROTEIN PHOSPHATASE

(Trypanosoma
cruzi) 		PF00102
(Y_phosphatase) 		5 TYR A  75
VAL A 223
GLU A 110
LEU A 151
LEU A 176
 None
 1.08A 4l1xB-4az1A:
undetectable		 4l1xB-4az1A:
25.41
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.
4az1 TYROSINE SPECIFIC
PROTEIN PHOSPHATASE

(Trypanosoma
cruzi) 		PF00102
(Y_phosphatase) 		5 TYR A  75
VAL A 223
ILE A 113
LEU A 151
LEU A 176
 None
 1.39A 4l1xB-4az1A:
undetectable		 4l1xB-4az1A:
25.41
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.
4bwp PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN-3

(Drosophila
melanogaster) 		no annotation 5 VAL A 561
ILE A 554
HIS A 540
LEU A 593
LEU A 596
 None
 1.46A 4l1xB-4bwpA:
undetectable		 4l1xB-4bwpA:
21.52
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.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		5 TYR A  78
VAL A 243
ILE A 242
LEU A  68
LEU A  66
 None
 1.44A 4l1xB-4nx1A:
undetectable		 4l1xB-4nx1A:
22.77
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.
4q69 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 TYR A 101
VAL A 173
HIS A 100
TRP A  52
LEU A 109
 None
 1.35A 4l1xB-4q69A:
undetectable		 4l1xB-4q69A:
21.88
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 TYR A 204
VAL A 278
ILE A 328
LEU A 148
LEU A 307
 None
 1.16A 4l1xB-4r39A:
undetectable		 4l1xB-4r39A:
22.40
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		5 TYR A 322
VAL A 353
GLU A 345
LEU A 284
LEU A 280
 None
 1.29A 4l1xB-4u0tA:
undetectable		 4l1xB-4u0tA:
22.08
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.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		PF12940
(RAG1) 		5 TYR B 928
VAL B 815
GLU B 803
LEU B 882
LEU B 879
 None
 1.19A 4l1xB-4wwxB:
undetectable		 4l1xB-4wwxB:
21.17
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A 486
VAL A 557
ILE A 555
GLU A 514
LEU A 505
 None
 1.35A 4l1xB-5ihrA:
9.0		 4l1xB-5ihrA:
16.29
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 TYR A 634
VAL A 235
ILE A 563
LEU A 617
LEU A 621
 None
 1.37A 4l1xB-5mfaA:
undetectable		 4l1xB-5mfaA:
18.89
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 5 TYR C  28
VAL C  62
ILE C  64
LEU C  21
LEU C  43
 None
 1.48A 4l1xB-5o4gC:
undetectable		 4l1xB-5o4gC:
14.84
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 TYR A 634
VAL A 235
ILE A 563
LEU A 617
LEU A 621
 None
 1.36A 4l1xB-6azpA:
undetectable		 4l1xB-6azpA:
13.58
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 5 TYR A 928
VAL A 815
GLU A 803
LEU A 882
LEU A 879
 None
 1.23A 4l1xB-6cg0A:
undetectable		 4l1xB-6cg0A:
14.24