SIMILAR PATTERNS OF AMINO ACIDS FOR 2QD4_B_CHDB926_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
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 ILE A  83
ARG A  87
PRO A 238
VAL A 277
GLY A 278
 None
 0.80A 2qd4B-1lbqA:
48.4		 2qd4B-1lbqA:
49.60
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.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 ILE K 347
PRO K 317
SER K 320
VAL K 340
GLY K 297
 None
 1.18A 2qd4B-1oxxK:
undetectable		 2qd4B-1oxxK:
23.00
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.
1zkc PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
LIKE 2

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 MET A 410
LEU A 407
PRO A 422
SER A 415
GLY A 332
 None
 1.22A 2qd4B-1zkcA:
0.0		 2qd4B-1zkcA:
20.06
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.
2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 LEU A 757
ILE A 556
ARG A 558
SER A 446
GLY A 730
 None
None
SO4  A 301 (-3.8A)
None
None
 1.10A 2qd4B-2h5gA:
3.2		 2qd4B-2h5gA:
22.75
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.
2os1 PEPTIDE DEFORMYLASE

(Enterococcus
faecalis) 		PF01327
(Pep_deformylase) 		5 LEU A 188
ILE A 153
ARG A 127
VAL A  75
GLY A  60
 BB2  A 400 (-4.4A)
BB2  A 400 (-4.4A)
None
None
BB2  A 400 (-4.4A)
 1.18A 2qd4B-2os1A:
undetectable		 2qd4B-2os1A:
19.22
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.
2os3 PEPTIDE DEFORMYLASE

(Streptococcus
pyogenes) 		PF01327
(Pep_deformylase) 		5 LEU A 205
ILE A 170
ARG A 144
VAL A  87
GLY A  72
 None
BB2  A 400 ( 4.9A)
None
None
BB2  A 400 (-4.6A)
 1.21A 2qd4B-2os3A:
0.0		 2qd4B-2os3A:
18.28
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.
2vwq GLUCOSE
DEHYDROGENASE

(Haloferax
mediterranei) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		5 ILE A 352
PRO A  85
SER A 130
VAL A  66
GLY A  67
 None
 1.42A 2qd4B-2vwqA:
2.8		 2qd4B-2vwqA:
21.31
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.
2yjn GLYCOSYLTRANSFERASE
DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE

(Saccharopolyspora
erythraea;
Saccharopolyspora
erythraea) 		PF06722
(DUF1205)
PF00067
(p450) 		5 MET B  35
LEU B  39
ILE A  90
PRO A 200
GLY A 114
 None
 1.42A 2qd4B-2yjnB:
0.0		 2qd4B-2yjnB:
20.10
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A  52
ARG A 201
PRO A 175
VAL A 173
GLY A  57
 None
 1.34A 2qd4B-2zxoA:
3.8		 2qd4B-2zxoA:
20.46
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  99
LEU A 101
ILE A 111
ARG A 114
PRO A 266
SER A 268
VAL A 305
GLY A 306
MET A 308
 CHD  A   2 (-4.0A)
CHD  A   3 ( 4.9A)
CHD  A   2 ( 4.7A)
CHD  A   2 (-3.6A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
CHD  A   1 ( 4.9A)
CHD  A   2 ( 3.8A)
None
 0.52A 2qd4B-3aqiA:
60.6		 2qd4B-3aqiA:
99.44
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.
3bqt UNCHARACTERIZED
PROTEIN

(Listeria
monocytogenes) 		PF04994
(TfoX_C) 		5 LEU A  16
ILE A  43
ARG A  42
VAL A  34
GLY A  35
 None
 1.23A 2qd4B-3bqtA:
undetectable		 2qd4B-3bqtA:
14.77
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.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		5 LEU A 197
ILE A 224
PRO A 175
SER A 176
GLY A 186
 None
 1.07A 2qd4B-3cskA:
undetectable		 2qd4B-3cskA:
19.70
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.
3hcy PUTATIVE
TWO-COMPONENT SENSOR
HISTIDINE KINASE
PROTEIN

(Sinorhizobium
meliloti) 		PF13185
(GAF_2) 		5 LEU A  25
ILE A 134
ARG A 138
PRO A  61
GLY A  99
 None
 1.34A 2qd4B-3hcyA:
undetectable		 2qd4B-3hcyA:
16.10
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.
3jtx AMINOTRANSFERASE

(Neisseria
meningitidis) 		PF00155
(Aminotran_1_2) 		5 LEU A  34
ILE A 390
PRO A 322
SER A 325
VAL A 319
 None
 1.25A 2qd4B-3jtxA:
undetectable		 2qd4B-3jtxA:
21.19
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.
3odp PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Clostridium
novyi) 		PF01380
(SIS) 		5 LEU A 140
ILE A 190
SER A 123
VAL A  71
GLY A  72
 None
None
PO4  A 402 ( 4.1A)
None
None
 1.08A 2qd4B-3odpA:
2.4		 2qd4B-3odpA:
22.84
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.
3pbp NUCLEOPORIN
NUP116/NSP116

(Saccharomyces
cerevisiae) 		PF04096
(Nucleoporin2) 		5 LEU B1011
ILE B1047
VAL B1022
GLY B1021
MET B 966
 None
 1.03A 2qd4B-3pbpB:
undetectable		 2qd4B-3pbpB:
18.11
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 LEU L 153
ILE L 253
PRO L  11
VAL L  92
GLY L  96
 None
 1.33A 2qd4B-3rkoL:
undetectable		 2qd4B-3rkoL:
19.48
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.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		5 MET A  55
LEU A  59
ILE A  83
PRO A  52
GLY A  12
 None
 1.28A 2qd4B-3rpcA:
undetectable		 2qd4B-3rpcA:
21.87
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.
3sbx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
marinum) 		PF03641
(Lysine_decarbox) 		5 LEU A  89
ILE A  72
ARG A  98
VAL A  51
GLY A  55
 None
None
AMP  A 188 (-3.1A)
None
None
 1.40A 2qd4B-3sbxA:
3.1		 2qd4B-3sbxA:
19.35
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.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN
LYSOSOMAL PROTECTIVE
PROTEIN 20 KDA CHAIN

(Homo sapiens;
Homo sapiens) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		5 ILE B 324
ARG B 319
SER A 124
VAL A 104
GLY A 103
 None
 1.31A 2qd4B-4az3B:
undetectable		 2qd4B-4az3B:
17.09
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.
4f7c CD1D ANTIGEN, D
POLYPEPTIDE

(Bos taurus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 LEU A  66
ILE A 165
PRO A  37
VAL A 173
GLY A  56
 None
 1.50A 2qd4B-4f7cA:
undetectable		 2qd4B-4f7cA:
21.27
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.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 5 LEU A  74
ILE A  70
ARG A  67
GLY A 323
MET A 320
 None
 1.09A 2qd4B-4g4iA:
undetectable		 2qd4B-4g4iA:
21.38
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.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 LEU A 296
ILE A 291
ARG A 288
VAL A 403
GLY A 401
 None
 1.24A 2qd4B-4hjlA:
undetectable		 2qd4B-4hjlA:
24.22
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		5 ILE B 145
ARG B 144
PRO B 498
SER B 252
GLY B 189
 None
 1.35A 2qd4B-4i0wB:
undetectable		 2qd4B-4i0wB:
22.13
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 MET A 176
LEU A 172
ILE A 129
ARG A 128
GLY A  59
 None
 1.40A 2qd4B-4nnbA:
undetectable		 2qd4B-4nnbA:
23.10
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.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU B 255
ILE B 210
ARG B 214
PRO B 232
VAL B 227
 None
 1.49A 2qd4B-4o27B:
undetectable		 2qd4B-4o27B:
22.34
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.
4uf7 GLYCOPROTEIN

(Ghanaian bat
henipavirus) 		PF00423
(HN) 		5 MET A 281
LEU A 222
ARG A 237
VAL A 302
GLY A 307
 None
None
SO4  A1623 (-2.7A)
None
None
 1.22A 2qd4B-4uf7A:
undetectable		 2qd4B-4uf7A:
20.59
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.
4w8l ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		5 MET A 452
LEU A 423
ILE A 509
VAL A 499
GLY A 497
 None
 1.27A 2qd4B-4w8lA:
undetectable		 2qd4B-4w8lA:
21.51
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.
4yzt CELLULOSE HYDROLASE

(Bacillus
licheniformis) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 MET A 175
LEU A 134
ILE A 112
PRO A 210
GLY A 194
 None
 1.32A 2qd4B-4yztA:
2.3		 2qd4B-4yztA:
20.62
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.
4zbg ACETYLTRANSFERASE

(Brucella
abortus) 		PF13527
(Acetyltransf_9) 		5 LEU A  78
ILE A  97
ARG A  98
ARG A 123
GLY A 119
 ACO  A 201 (-4.7A)
None
None
ACO  A 201 (-3.0A)
None
 1.50A 2qd4B-4zbgA:
undetectable		 2qd4B-4zbgA:
16.62
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.
5e2g BETA-LACTAMASE

(Burkholderia
cenocepacia) 		PF00144
(Beta-lactamase) 		5 LEU A  91
ILE A 127
PRO A 109
VAL A 148
GLY A 151
 None
 1.37A 2qd4B-5e2gA:
undetectable		 2qd4B-5e2gA:
22.93
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.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 MET A 312
LEU A  51
ARG A 482
PRO A 198
GLY A 351
 None
 1.49A 2qd4B-5g2vA:
undetectable		 2qd4B-5g2vA:
20.37
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.
5gjq UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 14

(Homo sapiens) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 MET x 354
LEU x 352
ILE x 325
VAL x 248
GLY x 247
 None
 1.26A 2qd4B-5gjqx:
undetectable		 2qd4B-5gjqx:
19.65
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.
5h53 SKELETAL MUSCLE
MYOSIN HEAVY CHAIN
MYHC-EO/IIL

(Oryctolagus
cuniculus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 MET A 780
ILE A 753
PRO A  82
SER A  34
GLY A 772
 None
 1.41A 2qd4B-5h53A:
undetectable		 2qd4B-5h53A:
17.25
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 LEU A1181
SER A1579
VAL A1260
GLY A1258
MET A1304
 None
 1.42A 2qd4B-5lcwA:
undetectable		 2qd4B-5lcwA:
11.02
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.
5thx FERREDOXIN--NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 LEU A 225
ARG A 190
PRO A 121
SER A  54
GLY A 116
 None
NAP  A 301 (-3.3A)
None
FAD  A 303 (-3.8A)
NAP  A 301 ( 3.9A)
 1.30A 2qd4B-5thxA:
2.5		 2qd4B-5thxA:
22.04
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 LEU A 294
ILE A 289
ARG A 286
VAL A 401
GLY A 399
 None
 1.18A 2qd4B-5xbpA:
undetectable		 2qd4B-5xbpA:
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.
6d6v TELOMERASE-ASSOCIATE
D PROTEIN 82

(Tetrahymena
thermophila) 		no annotation 5 LEU D 646
ILE D 544
SER D 617
VAL D 627
GLY D 624
 None
 1.34A 2qd4B-6d6vD:
undetectable		 2qd4B-6d6vD:
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.
6esl BACTERIAL LEUCYL
AMINOPEPTIDASE

(Legionella
pneumophila) 		no annotation 5 LEU A 198
ARG A 201
SER A 319
GLY A 209
MET A 270
 None
None
ZN  A 402 ( 4.6A)
None
ZN  A 402 ( 4.8A)
 1.49A 2qd4B-6eslA:
2.5		 2qd4B-6eslA:
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.
6fnw VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 5 LEU A 430
PRO A 462
SER A 464
VAL A 459
GLY A 437
 None
None
None
None
EDO  A 904 ( 3.4A)
 1.38A 2qd4B-6fnwA:
undetectable		 2qd4B-6fnwA:
undetectable