SIMILAR PATTERNS OF AMINO ACIDS FOR 6B89_B_NOVB403_2

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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		5 ALA A 533
PRO A 463
GLU A 460
VAL A 526
ARG A 253
 None
 1.35A 6b89B-1vrqA:
0.0		 6b89B-1vrqA:
6.58
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.
1xkw FE(III)-PYOCHELIN
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 LEU A  99
ALA A 102
TYR A 153
GLU A 324
VAL A  85
 None
 1.31A 6b89B-1xkwA:
undetectable		 6b89B-1xkwA:
7.87
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 ALA A 534
PRO A 464
GLU A 461
VAL A 527
ARG A 254
 None
 1.37A 6b89B-2gahA:
0.0		 6b89B-2gahA:
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.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 LEU A 303
ALA A 307
TYR A 290
GLU A 253
SER A 217
 None
 0.92A 6b89B-2iv0A:
0.8		 6b89B-2iv0A:
15.90
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 LEU A 714
ALA A 672
GLU A 616
SER A 618
VAL A 611
 None
 1.46A 6b89B-2jgdA:
2.4		 6b89B-2jgdA:
7.38
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.
2pef SERINE PROTEASE
INHIBITOR

(Caldanaerobacter
subterraneus) 		PF00079
(Serpin) 		5 LEU A  82
ALA A 375
PRO A  85
SER A  67
PHE A 297
 None
 1.29A 6b89B-2pefA:
undetectable		 6b89B-2pefA:
13.94
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 LEU A 202
ALA A 250
TYR A 265
PRO A 267
VAL A 327
 None
 1.00A 6b89B-2vcaA:
0.5		 6b89B-2vcaA:
7.66
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.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU X 305
ALA X 319
GLU X 283
SER X 295
ARG X 135
 None
 1.48A 6b89B-3e3bX:
0.4		 6b89B-3e3bX:
11.80
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A 661
ALA A 633
PRO A 458
PHE A 695
VAL A 626
 None
 1.35A 6b89B-3fedA:
0.2		 6b89B-3fedA:
8.27
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.
3o2k BREVIANAMIDE F
PRENYLTRANSFERASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		5 LEU A  96
ALA A 434
PRO A 362
SER A 298
PHE A 280
 QRP  A 502 (-4.3A)
None
None
None
QRP  A 502 (-4.3A)
 1.43A 6b89B-3o2kA:
undetectable		 6b89B-3o2kA:
10.89
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 HIS A 109
ALA A 112
SER A 148
VAL A 453
ARG A 455
 None
 0.99A 6b89B-3sfwA:
0.7		 6b89B-3sfwA:
12.44
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.
3vla EDGP

(Daucus carota) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 LEU A 143
ALA A 139
SER A 225
VAL A  95
ARG A  44
 None
 1.44A 6b89B-3vlaA:
undetectable		 6b89B-3vlaA:
13.04
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 2
ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT

(Lactobacillus
brevis) 		PF00005
(ABC_tran)
PF02361
(CbiQ) 		5 ALA T 137
PRO T 169
SER A 139
PHE A  94
ARG T 166
 None
 1.34A 6b89B-4hzuT:
undetectable		 6b89B-4hzuT:
15.81
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.
4l69 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Mycobacterium
tuberculosis) 		PF04452
(Methyltrans_RNA) 		5 LEU A 237
ALA A  98
PRO A  78
SER A 193
VAL A  82
 None
 1.46A 6b89B-4l69A:
undetectable		 6b89B-4l69A:
14.96
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 ALA A  44
TYR A  31
GLU A  88
VAL A  36
ARG A  37
 None
 1.43A 6b89B-4mynA:
undetectable		 6b89B-4mynA:
14.62
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.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		5 HIS A 123
ALA A 109
PRO A  32
PHE A  38
VAL A 269
 None
None
None
INS  A 401 (-4.5A)
None
 0.99A 6b89B-4rxmA:
2.5		 6b89B-4rxmA:
13.91
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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A 662
ALA A 632
PRO A 460
PHE A 693
VAL A 625
 None
 1.47A 6b89B-4tweA:
undetectable		 6b89B-4tweA:
7.86
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.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		PF12940
(RAG1) 		5 LEU B 655
ALA B 562
PRO B 674
SER B 539
VAL B 532
 None
 1.42A 6b89B-4wwxB:
2.7		 6b89B-4wwxB:
9.40
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 LEU A 295
ALA A 302
GLU A 107
SER A 397
PHE A 394
 None
 1.26A 6b89B-4zi6A:
undetectable		 6b89B-4zi6A:
12.26
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 LEU A1208
HIS A1195
PRO A1311
SER A1331
VAL A1201
 None
 1.44A 6b89B-5dotA:
undetectable		 6b89B-5dotA:
5.10
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.
5h5j FERREDOXIN--NADP
REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1) 		5 LEU A 150
ALA A  37
GLU A  69
SER A  98
VAL A  40
 None
 1.42A 6b89B-5h5jA:
undetectable		 6b89B-5h5jA:
15.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l75 LIPOPOLYSACCHARIDE
ABC TRANSPORTER,
ATP-BINDING PROTEIN
LPTB

(Klebsiella
pneumoniae) 		PF00005
(ABC_tran)
PF12399
(BCA_ABC_TP_C) 		8 LEU A  72
ALA A  76
TYR A  82
PRO A  84
SER A  88
PHE A  90
VAL A 102
ARG A 150
 None
 1.05A 6b89B-5l75A:
31.0		 6b89B-5l75A:
98.75
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.
5o9e PUTATIVE U3 SMALL
NUCLEOLAR
RIBONUCLEOPROTEIN

(Chaetomium
thermophilum) 		PF04427
(Brix) 		5 LEU A 167
PRO A 259
GLU A 256
PHE A 111
VAL A  90
 None
 0.97A 6b89B-5o9eA:
undetectable		 6b89B-5o9eA:
19.10
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 LEU A 586
HIS A 100
TYR A 590
SER A 635
VAL A 540
 None
 1.32A 6b89B-5u1sA:
0.3		 6b89B-5u1sA:
3.98
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.
5x03 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2) 		5 LEU A 265
PRO A 246
SER A 247
VAL A 168
ARG A 166
 None
 1.29A 6b89B-5x03A:
undetectable		 6b89B-5x03A:
12.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x5y PROBABLE ATP-BINDING
COMPONENT OF ABC
TRANSPORTER

(Pseudomonas
aeruginosa) 		no annotation 5 ALA B  76
TYR B  82
PRO B  84
PHE B  90
ARG B 150
 None
 0.77A 6b89B-5x5yB:
30.7		 6b89B-5x5yB:
63.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x5y PROBABLE ATP-BINDING
COMPONENT OF ABC
TRANSPORTER

(Pseudomonas
aeruginosa) 		no annotation 5 ALA B  76
TYR B  82
PRO B  84
SER B  88
PHE B  90
 None
 0.82A 6b89B-5x5yB:
30.7		 6b89B-5x5yB:
63.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x5y PROBABLE ATP-BINDING
COMPONENT OF ABC
TRANSPORTER

(Pseudomonas
aeruginosa) 		no annotation 5 TYR B  82
PRO B  84
GLU B  86
PHE B  90
ARG B 150
 None
 1.03A 6b89B-5x5yB:
30.7		 6b89B-5x5yB:
63.75
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 5 LEU A 655
ALA A 562
PRO A 674
SER A 539
VAL A 532
 None
 1.21A 6b89B-6cg0A:
1.6		 6b89B-6cg0A:
13.10