SIMILAR PATTERNS OF AMINO ACIDS FOR 4Y28_A_PQNA5001_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.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00117
(GATase) 		5 PHE H 189
ALA H  25
LEU H 190
GLY H 186
PHE H  59
 None
 1.34A 4y28A-1ka9H:
undetectable
4y28J-1ka9H:
0.0		 4y28A-1ka9H:
13.37
4y28J-1ka9H:
12.69
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox)
PF02964
(MeMO_Hyd_G) 		5 ARG G 138
ALA G 107
LEU G 139
GLY G 136
PHE D 448
 None
 1.33A 4y28A-1mtyG:
undetectable
4y28J-1mtyG:
0.0		 4y28A-1mtyG:
11.74
4y28J-1mtyG:
16.80
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 140
SER A 142
ALA A 132
LEU A 135
GLY A 139
 None
 1.00A 4y28A-1ogyA:
undetectable
4y28J-1ogyA:
0.0		 4y28A-1ogyA:
22.65
4y28J-1ogyA:
5.43
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.
2wjz IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISH

(Thermotoga
maritima) 		PF00117
(GATase) 		5 ARG B 187
ALA B  23
LEU B 190
GLY B 186
PHE B  69
 None
 1.49A 4y28A-2wjzB:
undetectable
4y28J-2wjzB:
0.0		 4y28A-2wjzB:
13.00
4y28J-2wjzB:
13.48
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 PHE A 165
ALA A 158
LEU A 161
GLY A 164
PHE A 711
 5PL  A 900 (-4.1A)
None
None
None
None
 1.40A 4y28A-2yevA:
4.6
4y28J-2yevA:
0.0		 4y28A-2yevA:
23.35
4y28J-2yevA:
5.07
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 PHE A 348
ARG A 259
ALA A 416
LEU A 417
GLY A 345
 None
 1.29A 4y28A-2ykyA:
undetectable
4y28J-2ykyA:
0.0		 4y28A-2ykyA:
21.32
4y28J-2ykyA:
6.92
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 PHE A 120
SER A 116
TRP A 119
ALA A  95
GLY A 121
 None
None
None
None
NAG  A 821 ( 4.9A)
 1.48A 4y28A-2z81A:
undetectable
4y28J-2z81A:
0.0		 4y28A-2z81A:
21.50
4y28J-2z81A:
6.90
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 PHE A1048
ALA A 963
LEU A 964
GLY A 996
PHE A1011
 None
 1.24A 4y28A-3aibA:
undetectable
4y28J-3aibA:
0.0		 4y28A-3aibA:
21.37
4y28J-3aibA:
3.69
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 MET A 436
PHE A 437
SER A 439
ALA A 404
PHE A 359
 None
 1.41A 4y28A-3mosA:
2.4
4y28J-3mosA:
undetectable		 4y28A-3mosA:
22.25
4y28J-3mosA:
5.64
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.
3o9p PERIPLASMIC MUREIN
PEPTIDE-BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 PHE A 164
ARG A  99
ALA A  29
LEU A 100
PHE A 315
 None
 1.28A 4y28A-3o9pA:
undetectable
4y28J-3o9pA:
undetectable		 4y28A-3o9pA:
21.72
4y28J-3o9pA:
9.31
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.
3pay PUTATIVE ADHESIN

(Bacteroides
ovatus) 		PF08842
(Mfa2) 		5 PHE A  49
ALA A  77
LEU A  78
GLY A  81
PHE A  61
 None
 1.34A 4y28A-3payA:
undetectable
4y28J-3payA:
undetectable		 4y28A-3payA:
18.10
4y28J-3payA:
10.88
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 ARG B 264
ALA B 248
LEU B 247
GLY B 244
PHE B  38
 None
 1.49A 4y28A-3pdiB:
undetectable
4y28J-3pdiB:
undetectable		 4y28A-3pdiB:
21.19
4y28J-3pdiB:
8.24
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.
3t5t PUTATIVE
GLYCOSYLTRANSFERASE

(Streptomyces
hygroscopicus) 		PF00982
(Glyco_transf_20) 		5 PHE A 134
ARG A 136
ALA A 139
GLY A 132
PHE A 215
 None
 1.19A 4y28A-3t5tA:
undetectable
4y28J-3t5tA:
undetectable		 4y28A-3t5tA:
20.08
4y28J-3t5tA:
7.97
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.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2

(Mus musculus) 		PF07528
(DZF) 		5 ARG A 327
ALA A  56
LEU A 330
GLY A 331
PHE A 211
 None
 1.42A 4y28A-4atbA:
undetectable
4y28J-4atbA:
undetectable		 4y28A-4atbA:
19.59
4y28J-4atbA:
11.81
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.
4k7k CATION EFFLUX SYSTEM
PROTEIN CUSC

(Escherichia
coli) 		PF02321
(OEP) 		5 PHE A  40
ARG A 263
ALA A 436
LEU A 437
GLY A 439
 None
 1.49A 4y28A-4k7kA:
1.5
4y28J-4k7kA:
undetectable		 4y28A-4k7kA:
19.20
4y28J-4k7kA:
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.
4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT

(Desulfomicrobium
baculatum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 MET S  50
SER S  52
ALA S  59
LEU S  58
PHE S 149
 None
 1.44A 4y28A-4ko2S:
undetectable
4y28J-4ko2S:
undetectable		 4y28A-4ko2S:
17.68
4y28J-4ko2S:
10.99
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.
4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT

(Desulfomicrobium
baculatum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 SER S  52
ALA S  59
LEU S  58
GLY S  54
PHE S 149
 None
 1.31A 4y28A-4ko2S:
undetectable
4y28J-4ko2S:
undetectable		 4y28A-4ko2S:
17.68
4y28J-4ko2S:
10.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		8 MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.32A 4y28A-4rkuA:
53.5
4y28J-4rkuA:
undetectable		 4y28A-4rkuA:
99.58
4y28J-4rkuA:
5.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.49A 4y28A-4rkuB:
34.8
4y28J-4rkuB:
undetectable		 4y28A-4rkuB:
43.95
4y28J-4rkuB:
4.65
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.
4ybq SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Rattus
norvegicus) 		PF00083
(Sugar_tr) 		5 PHE A 348
SER A 349
LEU A 344
GLY A 389
PHE A 268
 None
 1.47A 4y28A-4ybqA:
undetectable
4y28J-4ybqA:
undetectable		 4y28A-4ybqA:
21.71
4y28J-4ybqA:
7.94
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 ARG A1053
ALA A1081
LEU A1082
GLY A1086
PHE A 771
 None
 1.34A 4y28A-5cjuA:
undetectable
4y28J-5cjuA:
undetectable		 4y28A-5cjuA:
20.30
4y28J-5cjuA:
4.03
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 SER A 165
ARG A 188
ALA A 172
LEU A 187
GLY A 191
 None
 1.30A 4y28A-5ebbA:
undetectable
4y28J-5ebbA:
undetectable		 4y28A-5ebbA:
19.71
4y28J-5ebbA:
8.73
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		5 ARG A 118
ALA A 155
LEU A 160
GLY A 121
PHE A 223
 None
 1.50A 4y28A-5hmqA:
undetectable
4y28J-5hmqA:
undetectable		 4y28A-5hmqA:
22.64
4y28J-5hmqA:
5.37
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.
5hst POLYKETIDE SYNTHASE
TYPE I

(Bacillus
amyloliquefaciens) 		PF14765
(PS-DH) 		5 SER A 165
ARG A 290
ALA A 288
LEU A 289
PHE A 108
 None
 1.18A 4y28A-5hstA:
undetectable
4y28J-5hstA:
undetectable		 4y28A-5hstA:
16.80
4y28J-5hstA:
10.88
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.
5hxs SODIUM,CALCIUM
EXCHANGER

(Methanocaldococcus
jannaschii) 		PF01699
(Na_Ca_ex) 		5 MET A 267
ALA A 290
LEU A 289
GLY A 285
PHE A 182
 None
 1.39A 4y28A-5hxsA:
2.8
4y28J-5hxsA:
undetectable		 4y28A-5hxsA:
17.85
4y28J-5hxsA:
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.
5l20 CLOSTRIPAIN-RELATED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03415
(Peptidase_C11) 		5 MET B 209
PHE B 204
SER B 211
ALA B 217
LEU B 218
 None
 1.39A 4y28A-5l20B:
undetectable
4y28J-5l20B:
undetectable		 4y28A-5l20B:
16.87
4y28J-5l20B:
14.36
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 8 MET 1 684
PHE 1 685
SER 1 688
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723
 CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
PQN  1 842 ( 3.9A)
 0.29A 4y28A-5oy01:
44.1
4y28J-5oy01:
undetectable		 4y28A-5oy01:
8.88
4y28J-5oy01:
21.25
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 7 MET b 659
PHE b 660
SER b 663
ARG b 665
TRP b 668
ALA b 696
LEU b 697
 CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.62A 4y28A-5oy0b:
34.1
4y28J-5oy0b:
undetectable		 4y28A-5oy0b:
8.28
4y28J-5oy0b:
16.44
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		5 SER A 545
ARG A 551
ALA A 580
LEU A 581
GLY A 586
 AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
None
 0.98A 4y28A-5v8kA:
27.5
4y28J-5v8kA:
undetectable		 4y28A-5v8kA:
23.82
4y28J-5v8kA:
6.30
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.
5zi9 CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Streptomyces
coelicolor) 		no annotation 5 ARG A  95
ALA A  92
LEU A  96
GLY A  97
PHE A 184
 None
 1.23A 4y28A-5zi9A:
undetectable
4y28J-5zi9A:
undetectable		 4y28A-5zi9A:
6.98
4y28J-5zi9A:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 MET A 681
PHE A 682
ARG A 687
TRP A 690
ALA A 714
LEU A 715
GLY A 720
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
 0.76A 4y28A-6fosA:
42.8
4y28J-6fosA:
undetectable		 4y28A-6fosA:
81.25
4y28J-6fosA:
21.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 MET A 681
PHE A 682
SER A 685
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.87A 4y28A-6fosA:
42.8
4y28J-6fosA:
undetectable		 4y28A-6fosA:
81.25
4y28J-6fosA:
21.62
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.83A 4y28A-6fosB:
28.0
4y28J-6fosB:
undetectable		 4y28A-6fosB:
7.16
4y28J-6fosB:
18.75