SIMILAR PATTERNS OF AMINO ACIDS FOR 4D34_B_H4BB600

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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.33A 4d34A-1l5jA:
0.0
4d34B-1l5jA:
0.0		 4d34A-1l5jA:
20.21
4d34B-1l5jA:
20.21
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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 PHE A 154
VAL A 200
ARG A 160
TRP A  27
 SO4  A 400 (-4.6A)
None
None
SO4  A 400 (-3.4A)
 1.30A 4d34A-1nrkA:
0.0
4d34B-1nrkA:
0.0		 4d34A-1nrkA:
21.24
4d34B-1nrkA:
21.24
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.41A 4d34A-2d52A:
0.6
4d34B-2d52A:
0.6		 4d34A-2d52A:
21.89
4d34B-2d52A:
21.89
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.
2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		4 PHE A 123
GLU A  30
VAL A  27
TRP A  15
 None
 1.36A 4d34A-2d9jA:
0.0
4d34B-2d9jA:
0.0		 4d34A-2d9jA:
17.60
4d34B-2d9jA:
17.60
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 PHE A  29
GLU A  27
VAL A  23
ARG A 116
 None
 1.21A 4d34A-2incA:
0.0
4d34B-2incA:
0.0		 4d34A-2incA:
20.59
4d34B-2incA:
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		4 TRP A 372
PHE A 406
GLU A 370
ARG A 405
 None
 1.49A 4d34A-2qqoA:
0.6
4d34B-2qqoA:
0.8		 4d34A-2qqoA:
23.53
4d34B-2qqoA:
23.53
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		4 PHE A  41
GLU A  38
VAL A  37
TRP A  22
 None
 1.43A 4d34A-2rttA:
0.0
4d34B-2rttA:
0.0		 4d34A-2rttA:
15.25
4d34B-2rttA:
15.25
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 0.99A 4d34A-3ckbA:
0.0
4d34B-3ckbA:
0.0		 4d34A-3ckbA:
21.88
4d34B-3ckbA:
21.88
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A4109
GLU A4033
VAL A4019
TRP A4065
 None
 1.32A 4d34A-3g1nA:
0.0
4d34B-3g1nA:
0.0		 4d34A-3g1nA:
21.68
4d34B-3g1nA:
21.68
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 PHE A 133
GLU A 122
VAL A 120
ARG A  69
 None
 1.32A 4d34A-3lccA:
undetectable
4d34B-3lccA:
undetectable		 4d34A-3lccA:
18.04
4d34B-3lccA:
18.04
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.
3vv4 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Thermosynechococcus
elongatus) 		PF01590
(GAF) 		4 PHE A  67
GLU A  73
VAL A  72
TRP A  71
 None
None
None
PVG  A 201 (-3.6A)
 1.05A 4d34A-3vv4A:
undetectable
4d34B-3vv4A:
0.2		 4d34A-3vv4A:
19.96
4d34B-3vv4A:
19.96
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.
3zn6 VP17

(Thermus virus
P23-77) 		no annotation 4 PHE A 166
GLU A 179
VAL A 102
ARG A 114
 None
 1.36A 4d34A-3zn6A:
undetectable
4d34B-3zn6A:
undetectable		 4d34A-3zn6A:
20.35
4d34B-3zn6A:
20.35
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 PHE A  28
GLU A  25
VAL A  71
ARG A  58
 None
 1.14A 4d34A-4o6xA:
undetectable
4d34B-4o6xA:
undetectable		 4d34A-4o6xA:
13.54
4d34B-4o6xA:
13.54
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.
4u3v POLYKETIDE SYNTHASE
PKSR

(Bacillus
subtilis) 		PF14765
(PS-DH) 		4 TRP A 140
PHE A 144
GLU A 139
VAL A  19
 None
 1.08A 4d34A-4u3vA:
undetectable
4d34B-4u3vA:
undetectable		 4d34A-4u3vA:
19.47
4d34B-4u3vA:
19.47
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 TRP A 185
PHE A 640
GLU A 186
ARG A 644
 None
None
CA  A 801 (-2.3A)
None
 1.29A 4d34A-5bv9A:
undetectable
4d34B-5bv9A:
undetectable		 4d34A-5bv9A:
21.37
4d34B-5bv9A:
21.37
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.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 TRP A 407
PHE A 404
GLU A 410
VAL A 409
 None
 1.33A 4d34A-5cowA:
undetectable
4d34B-5cowA:
undetectable		 4d34A-5cowA:
20.90
4d34B-5cowA:
20.90
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.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 TRP A 288
PHE A  13
GLU A  33
VAL A  36
 None
 1.46A 4d34A-5ft6A:
undetectable
4d34B-5ft6A:
1.1		 4d34A-5ft6A:
21.57
4d34B-5ft6A:
21.57
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TRP A 326
PHE A 359
GLU A 325
VAL A 324
 None
 1.49A 4d34A-5gn5A:
0.5
4d34B-5gn5A:
undetectable		 4d34A-5gn5A:
22.69
4d34B-5gn5A:
22.69
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.13A 4d34A-5jseA:
undetectable
4d34B-5jseA:
undetectable		 4d34A-5jseA:
19.31
4d34B-5jseA:
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 PHE B4109
GLU B4033
VAL B4019
TRP B4065
 None
 1.21A 4d34A-5lp8B:
undetectable
4d34B-5lp8B:
undetectable		 4d34A-5lp8B:
21.31
4d34B-5lp8B:
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.
5lsk CENTROMERE PROTEIN C
KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG

(Homo sapiens) 		PF08641
(Mis14)
PF15622
(CENP_C_N) 		4 PHE N 115
GLU N 117
VAL N 120
ARG P  16
 None
 1.07A 4d34A-5lskN:
undetectable
4d34B-5lskN:
undetectable		 4d34A-5lskN:
19.09
4d34B-5lskN:
19.09
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.06A 4d34A-5m8tA:
0.0
4d34B-5m8tA:
0.0		 4d34A-5m8tA:
21.75
4d34B-5m8tA:
21.75
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 TRP A 599
PHE A 606
VAL A 538
ARG A 205
 None
 1.47A 4d34A-5no8A:
undetectable
4d34B-5no8A:
undetectable		 4d34A-5no8A:
21.87
4d34B-5no8A:
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.
5vyo THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 PHE A  49
GLU A  54
VAL A  57
TRP A  56
 None
 0.94A 4d34A-5vyoA:
0.9
4d34B-5vyoA:
0.8		 4d34A-5vyoA:
9.71
4d34B-5vyoA:
9.71
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 PHE F  50
GLU c  51
VAL c  16
ARG F  49
 None
None
None
C  21421 ( 4.4A)
 0.95A 4d34A-5xyiF:
undetectable
4d34B-5xyiF:
undetectable		 4d34A-5xyiF:
18.08
4d34B-5xyiF:
18.08