SIMILAR PATTERNS OF AMINO ACIDS FOR 4V3W_A_H4BA760

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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 VAL A 667
TRP A 673
PHE A 681
GLU A 649
 None
 1.32A 4v3wA-1c4kA:
0.0
4v3wB-1c4kA:
0.0		 4v3wA-1c4kA:
19.07
4v3wB-1c4kA:
19.07
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 VAL A 464
TRP A 719
PHE A 715
GLU A 543
 None
 1.41A 4v3wA-1itkA:
0.0
4v3wB-1itkA:
1.0		 4v3wA-1itkA:
22.22
4v3wB-1itkA:
22.22
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.
1pdu NUCLEAR HORMONE
RECEPTOR HR38

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 MET A 440
VAL A 401
TRP A 435
PHE A 432
 None
 0.87A 4v3wA-1pduA:
0.0
4v3wB-1pduA:
0.0		 4v3wA-1pduA:
21.05
4v3wB-1pduA:
21.05
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		4 MET A 249
VAL A 267
PHE A 206
GLU A 201
 None
 1.20A 4v3wA-1qb4A:
0.0
4v3wB-1qb4A:
0.3		 4v3wA-1qb4A:
19.22
4v3wB-1qb4A:
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.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 122
TRP A 277
PHE A 254
GLU A 250
 None
 1.49A 4v3wA-1tkiA:
0.0
4v3wB-1tkiA:
0.0		 4v3wA-1tkiA:
20.23
4v3wB-1tkiA:
20.23
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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 VAL A 221
TRP A 162
PHE A 265
GLU A 161
 None
 1.49A 4v3wA-1vmkA:
undetectable
4v3wB-1vmkA:
0.0		 4v3wA-1vmkA:
21.48
4v3wB-1vmkA:
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.
2gdf LECTIN

(Dioclea
violacea) 		PF00139
(Lectin_legB) 		4 VAL A  65
TRP A  40
PHE A 195
GLU A   8
 None
 1.35A 4v3wA-2gdfA:
0.0
4v3wB-2gdfA:
0.0		 4v3wA-2gdfA:
19.48
4v3wB-2gdfA:
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.
2ggm CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 MET A 145
VAL A 157
PHE A 162
GLU A 148
 None
 1.41A 4v3wA-2ggmA:
0.7
4v3wB-2ggmA:
0.6		 4v3wA-2ggmA:
17.43
4v3wB-2ggmA:
17.43
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.
2l82 DESIGNED PROTEIN
OR32

(synthetic
construct) 		no annotation 4 VAL A 104
TRP A  72
PHE A  95
GLU A 101
 None
 1.47A 4v3wA-2l82A:
0.0
4v3wB-2l82A:
0.0		 4v3wA-2l82A:
17.49
4v3wB-2l82A:
17.49
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.
2noz N-GLYCOSYLASE/DNA
LYASE

(Homo sapiens) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 VAL A 267
TRP A 272
PHE A 303
GLU A 298
 None
 0.99A 4v3wA-2nozA:
undetectable
4v3wB-2nozA:
undetectable		 4v3wA-2nozA:
22.30
4v3wB-2nozA:
22.30
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.
2obh CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 MET A 145
VAL A 157
PHE A 162
GLU A 148
 None
CA  A1001 ( 4.9A)
None
None
 1.40A 4v3wA-2obhA:
undetectable
4v3wB-2obhA:
undetectable		 4v3wA-2obhA:
17.09
4v3wB-2obhA:
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 MET A 370
TRP A 369
TRP A 368
GLU A 371
 None
 1.10A 4v3wA-2v4jA:
undetectable
4v3wB-2v4jA:
undetectable		 4v3wA-2v4jA:
21.74
4v3wB-2v4jA:
21.74
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 VAL A 245
TRP A 252
PHE A 254
GLU A 251
 None
None
None
MRD  A1301 (-4.3A)
 1.38A 4v3wA-2vy0A:
undetectable
4v3wB-2vy0A:
undetectable		 4v3wA-2vy0A:
20.00
4v3wB-2vy0A:
20.00
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 MET A  17
TRP A  15
PHE A 137
GLU A  16
 None
 1.29A 4v3wA-2zf8A:
undetectable
4v3wB-2zf8A:
undetectable		 4v3wA-2zf8A:
21.35
4v3wB-2zf8A:
21.35
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.
3d2w TAR DNA-BINDING
PROTEIN 43

(Mus musculus) 		PF00076
(RRM_1) 		4 MET A 202
VAL A 220
PHE A 211
GLU A 206
 None
 1.02A 4v3wA-3d2wA:
undetectable
4v3wB-3d2wA:
undetectable		 4v3wA-3d2wA:
12.22
4v3wB-3d2wA:
12.22
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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 VAL A  16
TRP A  70
PHE A  88
GLU A  71
 None
 1.48A 4v3wA-3ddlA:
1.2
4v3wB-3ddlA:
undetectable		 4v3wA-3ddlA:
20.14
4v3wB-3ddlA:
20.14
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.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 MET A 786
VAL A 832
TRP A 819
GLU A 787
 None
 1.39A 4v3wA-3lltA:
undetectable
4v3wB-3lltA:
undetectable		 4v3wA-3lltA:
21.60
4v3wB-3lltA:
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		4 MET A 370
TRP A 369
TRP A 368
GLU A 371
 None
 1.26A 4v3wA-3or2A:
undetectable
4v3wB-3or2A:
undetectable		 4v3wA-3or2A:
21.78
4v3wB-3or2A:
21.78
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 VAL A 149
TRP A 146
PHE A 162
GLU A 187
 None
 1.34A 4v3wA-3rjyA:
1.5
4v3wB-3rjyA:
1.3		 4v3wA-3rjyA:
21.27
4v3wB-3rjyA:
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.
3sbg PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF12134
(PRP8_domainIV) 		4 VAL A2274
TRP A2314
PHE A2329
GLU A2310
 None
 1.30A 4v3wA-3sbgA:
undetectable
4v3wB-3sbgA:
undetectable		 4v3wA-3sbgA:
21.60
4v3wB-3sbgA:
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 VAL A 240
TRP A 239
PHE A 305
GLU A 265
 None
 1.32A 4v3wA-3ti8A:
undetectable
4v3wB-3ti8A:
undetectable		 4v3wA-3ti8A:
22.64
4v3wB-3ti8A:
22.64
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.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 VAL A 162
TRP A 140
PHE A 118
GLU A 141
 None
 1.24A 4v3wA-3tquA:
undetectable
4v3wB-3tquA:
undetectable		 4v3wA-3tquA:
19.05
4v3wB-3tquA:
19.05
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		4 VAL A 463
TRP A 708
PHE A 704
GLU A 534
 None
 1.45A 4v3wA-3wxoA:
1.6
4v3wB-3wxoA:
1.1		 4v3wA-3wxoA:
20.25
4v3wB-3wxoA:
20.25
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 MET A 258
VAL A 265
TRP A  62
PHE A  85
 None
 1.34A 4v3wA-4g76A:
undetectable
4v3wB-4g76A:
undetectable		 4v3wA-4g76A:
19.86
4v3wB-4g76A:
19.86
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 VAL B 351
TRP B 355
PHE B 327
GLU B 424
 None
 1.12A 4v3wA-4l37B:
undetectable
4v3wB-4l37B:
undetectable		 4v3wA-4l37B:
20.69
4v3wB-4l37B:
20.69
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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.11A 4v3wA-4mlnA:
undetectable
4v3wB-4mlnA:
undetectable		 4v3wA-4mlnA:
16.55
4v3wB-4mlnA:
16.55
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.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.18A 4v3wA-4n6wA:
undetectable
4v3wB-4n6wA:
undetectable		 4v3wA-4n6wA:
19.62
4v3wB-4n6wA:
19.62
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 VAL A 305
TRP A 263
PHE A 264
GLU A 266
 None
 1.14A 4v3wA-4xj6A:
2.0
4v3wB-4xj6A:
undetectable		 4v3wA-4xj6A:
21.06
4v3wB-4xj6A:
21.06
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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 VAL A 288
TRP A 292
PHE A 277
GLU A 279
 None
 1.38A 4v3wA-4ylrA:
undetectable
4v3wB-4ylrA:
undetectable		 4v3wA-4ylrA:
22.81
4v3wB-4ylrA:
22.81
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 VAL B  28
TRP A 401
PHE A 397
GLU A 402
 None
 1.48A 4v3wA-5c6gB:
undetectable
4v3wB-5c6gB:
undetectable		 4v3wA-5c6gB:
18.69
4v3wB-5c6gB:
18.69
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 VAL A 481
TRP A 736
PHE A 732
GLU A 560
 None
 1.45A 4v3wA-5kqiA:
undetectable
4v3wB-5kqiA:
undetectable		 4v3wA-5kqiA:
20.85
4v3wB-5kqiA:
20.85
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.
5lb8 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		4 MET A 306
VAL A 310
TRP A 305
GLU A 307
 None
 1.31A 4v3wA-5lb8A:
undetectable
4v3wB-5lb8A:
undetectable		 4v3wA-5lb8A:
20.19
4v3wB-5lb8A:
20.19
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.
5noi ROUNDABOUT HOMOLOG 2

(Homo sapiens) 		no annotation 4 VAL A 345
TRP A 347
PHE A 316
GLU A 336
 None
 1.30A 4v3wA-5noiA:
undetectable
4v3wB-5noiA:
undetectable		 4v3wA-5noiA:
19.34
4v3wB-5noiA:
19.34
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.
5x89 ENDA-LIKE
PROTEIN,TRNA-SPLICIN
G ENDONUCLEASE

(Methanopyrus
kandleri) 		no annotation 4 MET A 249
VAL A 231
PHE A 258
GLU A 253
 None
 1.18A 4v3wA-5x89A:
undetectable
4v3wB-5x89A:
undetectable		 4v3wA-5x89A:
12.70
4v3wB-5x89A:
12.70
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.
5xwd VH CHAIN OF 059-152
VL CHAIN OF 059-152

(Homo sapiens) 		no annotation 4 MET H 105
VAL D  98
TRP D  91
TRP H  49
 None
 1.29A 4v3wA-5xwdH:
undetectable
4v3wB-5xwdH:
undetectable		 4v3wA-5xwdH:
9.59
4v3wB-5xwdH:
9.59
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 4 MET A 393
VAL A 431
TRP A 421
GLU A 394
 None
 1.40A 4v3wA-6fylA:
0.9
4v3wB-6fylA:
undetectable		 4v3wA-6fylA:
undetectable
4v3wB-6fylA:
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 MET A 391
VAL A 429
TRP A 419
GLU A 392
 None
 1.41A 4v3wA-6fyoA:
0.5
4v3wB-6fyoA:
undetectable		 4v3wA-6fyoA:
undetectable
4v3wB-6fyoA:
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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 4 MET A 391
VAL A 429
TRP A 419
GLU A 392
 None
 1.32A 4v3wA-6fyvA:
0.9
4v3wB-6fyvA:
undetectable		 4v3wA-6fyvA:
undetectable
4v3wB-6fyvA:
undetectable