SIMILAR PATTERNS OF AMINO ACIDS FOR 4MK4_B_CHDB503_0

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.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 MET A 437
LEU A 429
LEU A 425
PRO A 130
VAL A 131
 None
 1.45A 4mk4B-1h7kA:
undetectable		 4mk4B-1h7kA:
21.41
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.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		5 MET A 279
LEU A 215
PHE A 211
HIS A 232
VAL A 239
 None
 1.43A 4mk4B-1j5sA:
0.4		 4mk4B-1j5sA:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lbq FERROCHELATASE

(Saccharomyces
cerevisiae) 		PF00762
(Ferrochelatase) 		8 LEU A  62
PHE A  63
ARG A  87
HIS A 235
PRO A 238
VAL A 241
VAL A 277
TRP A 282
 None
 0.58A 4mk4B-1lbqA:
48.0		 4mk4B-1lbqA:
49.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lbq FERROCHELATASE

(Saccharomyces
cerevisiae) 		PF00762
(Ferrochelatase) 		5 MET A  46
HIS A 235
PRO A 238
VAL A 241
TRP A 282
 None
 1.11A 4mk4B-1lbqA:
48.0		 4mk4B-1lbqA:
49.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lbq FERROCHELATASE

(Saccharomyces
cerevisiae) 		PF00762
(Ferrochelatase) 		5 PHE A  63
LEU A  68
ARG A  87
HIS A 235
VAL A 277
 None
 1.17A 4mk4B-1lbqA:
48.0		 4mk4B-1lbqA:
49.33
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.
2dch PUTATIVE HOMING
ENDONUCLEASE

(Thermoproteus) 		PF14528
(LAGLIDADG_3) 		5 LEU X  17
LEU X  72
CYH X   8
PRO X  89
VAL X  93
 None
 1.46A 4mk4B-2dchX:
0.1		 4mk4B-2dchX:
20.11
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.
2og2 PUTATIVE SIGNAL
RECOGNITION PARTICLE
RECEPTOR

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU A 198
CYH A 215
PRO A 246
VAL A 128
VAL A 272
 None
 1.35A 4mk4B-2og2A:
3.6		 4mk4B-2og2A:
21.91
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.
2x66 PRNB

(Pseudomonas
fluorescens) 		PF08933
(DUF1864) 		5 LEU A 161
PHE A 171
LEU A 178
VAL A 305
VAL A 354
 None
 1.39A 4mk4B-2x66A:
0.1		 4mk4B-2x66A:
24.40
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.
2zsi PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3) 		5 LEU A 130
LEU A 134
CYH A 138
VAL A 341
VAL A 284
 None
 1.36A 4mk4B-2zsiA:
3.8		 4mk4B-2zsiA:
19.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		9 MET A  76
LEU A  92
PHE A  93
LEU A  98
HIS A 263
PRO A 266
VAL A 269
VAL A 305
TRP A 310
 CHD  A   1 ( 3.8A)
CHD  A   1 (-4.8A)
CHD  A   1 ( 4.7A)
CHD  A   1 (-4.3A)
CHD  A   1 (-4.3A)
CHD  A   2 ( 4.5A)
None
CHD  A   1 ( 4.9A)
CHD  A   2 (-4.7A)
 0.27A 4mk4B-3aqiA:
59.3		 4mk4B-3aqiA:
99.16
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.
3b4u DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		5 LEU A  43
PHE A  44
LEU A  11
VAL A 254
VAL A  21
 None
 1.38A 4mk4B-3b4uA:
0.6		 4mk4B-3b4uA:
21.28
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.
3h77 PQS BIOSYNTHETIC
ENZYME

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 MET A 225
LEU A 193
PHE A 218
HIS A 257
VAL A 282
 COW  A 350 (-3.7A)
CSJ  A 112 (-4.5A)
CSJ  A 112 ( 4.0A)
COW  A 350 (-4.2A)
None
 1.38A 4mk4B-3h77A:
undetectable		 4mk4B-3h77A:
23.27
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.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN

(Rhodobacter
sphaeroides) 		PF02126
(PTE) 		5 LEU A 257
PHE A 259
LEU A 234
PRO A 209
VAL A 178
 None
 1.50A 4mk4B-3k2gA:
0.8		 4mk4B-3k2gA:
21.67
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 LEU A  24
LEU A  38
ARG A  29
PRO A  99
VAL A  81
 None
 1.14A 4mk4B-3la4A:
3.9		 4mk4B-3la4A:
19.31
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 LEU A  24
LEU A  38
ARG A  29
PRO A  99
VAL A  96
 None
 1.04A 4mk4B-3la4A:
3.9		 4mk4B-3la4A:
19.31
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 LEU A  24
LEU A  38
PRO A  99
VAL A  96
VAL A  74
 None
 1.44A 4mk4B-3la4A:
3.9		 4mk4B-3la4A:
19.31
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.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		5 LEU A 641
PHE A 638
LEU A 687
ARG A 709
VAL A 666
 None
 1.39A 4mk4B-3odxA:
undetectable		 4mk4B-3odxA:
22.90
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.
3zuh PROTEIN CBBX

(Rhodobacter
sphaeroides) 		PF00004
(AAA) 		5 LEU A  90
LEU A  94
HIS A 197
PRO A  66
VAL A 171
 None
 1.29A 4mk4B-3zuhA:
undetectable		 4mk4B-3zuhA:
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.
4chc POLYMERASE ACIDIC
PROTEIN

(Thogoto
thogotovirus) 		no annotation 5 LEU A 100
CYH A  36
PRO A   5
VAL A 152
TRP A 151
 None
 1.35A 4mk4B-4chcA:
undetectable		 4mk4B-4chcA:
18.08
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.
4elj RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A)
PF11934
(DUF3452) 		5 LEU A 277
LEU A 223
CYH A 169
VAL A 190
VAL A 243
 None
 1.49A 4mk4B-4eljA:
0.0		 4mk4B-4eljA:
18.59
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 LEU B  24
LEU B  38
ARG B  29
PRO B  99
VAL B  81
 None
None
MG  B 903 (-2.7A)
None
None
 1.15A 4mk4B-4g7eB:
undetectable		 4mk4B-4g7eB:
18.57
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.
4jot ENOYL-COA HYDRATASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF00378
(ECH_1) 		5 LEU A 170
LEU A 122
ARG A 166
CYH A 117
VAL A 113
 None
 1.33A 4mk4B-4jotA:
undetectable		 4mk4B-4jotA:
20.81
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		5 LEU A 302
PHE A 138
ARG A 137
CYH A 292
VAL A 122
 None
 1.28A 4mk4B-4kemA:
2.8		 4mk4B-4kemA:
22.62
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		5 LEU A 120
PHE A 125
HIS A  57
PRO A  55
VAL A  90
 None
 1.43A 4mk4B-4ml9A:
4.2		 4mk4B-4ml9A:
22.61
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.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 PHE A  52
LEU A  96
ARG A  51
PRO A  26
VAL A  24
 None
 1.42A 4mk4B-4rpfA:
undetectable		 4mk4B-4rpfA:
19.30
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.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 LEU A 361
PHE A 305
LEU A 358
VAL A 375
VAL A 299
 None
 1.50A 4mk4B-4rt6A:
undetectable		 4mk4B-4rt6A:
16.14
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE

(Escherichia
coli) 		PF02446
(Glyco_hydro_77) 		5 LEU A 667
PRO A 637
VAL A 148
VAL A 676
TRP A 640
 None
 1.48A 4mk4B-4s3pA:
0.9		 4mk4B-4s3pA:
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster) 		PF07034
(ORC3_N) 		5 LEU C 283
LEU C 292
ARG C 427
CYH C 321
VAL C 602
 None
 1.38A 4mk4B-4xgcC:
undetectable		 4mk4B-4xgcC:
20.48
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.
4yb9 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Bos taurus) 		PF00083
(Sugar_tr) 		5 MET D  88
LEU D  84
PHE D  80
CYH D 138
PRO D 112
 None
 1.34A 4mk4B-4yb9D:
undetectable		 4mk4B-4yb9D:
21.60
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.
5k66 NTA1P

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		5 MET A 160
LEU A 215
LEU A  19
PRO A  56
VAL A  23
 None
 1.43A 4mk4B-5k66A:
undetectable		 4mk4B-5k66A:
21.66
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.
5ko3 ORF1A

(Middle East
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		5 LEU A 133
PHE A 128
LEU A 151
VAL A  90
VAL A 116
 None
None
ACT  A 405 ( 4.5A)
None
None
 1.29A 4mk4B-5ko3A:
undetectable		 4mk4B-5ko3A:
21.73
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.
5mb4 GLCNAC SPECIFIC
LECTIN

(Psathyrella) 		PF13517
(VCBS) 		5 MET A 123
LEU A 175
ARG A 173
VAL A  82
TRP A 111
 None
None
None
None
NAG  A 514 ( 3.6A)
 1.33A 4mk4B-5mb4A:
undetectable		 4mk4B-5mb4A:
20.09
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.
5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC

(Mycobacterium
tuberculosis) 		PF14765
(PS-DH) 		5 LEU A 949
LEU A 956
HIS A 928
PRO A1125
VAL A1126
 None
 1.39A 4mk4B-5njiA:
undetectable		 4mk4B-5njiA:
21.48
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 LEU A 279
LEU A 328
CYH A 272
HIS A 257
VAL A 345
 None
None
None
FUM  A 702 (-3.9A)
None
 1.21A 4mk4B-5xmjA:
undetectable		 4mk4B-5xmjA:
undetectable
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.
6dch SCOE PROTEIN

(Streptomyces
coeruleorubidus) 		no annotation 5 LEU A  78
LEU A  86
PRO A  93
VAL A 313
VAL A 106
 None
 1.47A 4mk4B-6dchA:
undetectable		 4mk4B-6dchA:
undetectable