SIMILAR PATTERNS OF AMINO ACIDS FOR 2KI5_A_AC2A1_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.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)

(Desulfovibrio
desulfuricans) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9) 		5 GLU A 187
TRP D  92
GLN A 174
ARG A 243
GLU A 240
 None
 1.39A 2ki5A-1e08A:
0.0		 2ki5A-1e08A:
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 GLU A  48
TRP A  53
ILE A  65
TYR A  66
ARG A 143
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 ( 4.2A)
BVP  A 500 (-4.9A)
None
 0.96A 2ki5A-1osnA:
34.4		 2ki5A-1osnA:
29.79
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		6 TRP A  53
ILE A  62
ILE A  65
TYR A  66
GLN A  90
ARG A 143
 BVP  A 500 (-4.6A)
BVP  A 500 (-4.5A)
BVP  A 500 ( 4.2A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
None
 0.71A 2ki5A-1osnA:
34.4		 2ki5A-1osnA:
29.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p75 THYMIDINE KINASE

(Equid
alphaherpesvirus
4) 		PF00693
(Herpes_TK) 		6 GLU A  60
TRP A  65
ILE A  74
ILE A  77
TYR A  78
ARG A 152
 T5A  A 501 (-2.5A)
None
T5A  A 501 ( 4.4A)
T5A  A 501 ( 4.7A)
T5A  A 501 (-4.6A)
T5A  A 501 (-4.2A)
 1.09A 2ki5A-1p75A:
36.5		 2ki5A-1p75A:
35.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p75 THYMIDINE KINASE

(Equid
alphaherpesvirus
4) 		PF00693
(Herpes_TK) 		6 TRP A  65
ILE A  74
ILE A  77
TYR A  78
GLN A 102
ARG A 152
 None
T5A  A 501 ( 4.4A)
T5A  A 501 ( 4.7A)
T5A  A 501 (-4.6A)
T5A  A 501 (-3.1A)
T5A  A 501 (-4.2A)
 0.98A 2ki5A-1p75A:
36.5		 2ki5A-1p75A:
35.60
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.
1qyd PINORESINOL-LARICIRE
SINOL REDUCTASE

(Thuja plicata) 		PF05368
(NmrA) 		5 GLU A 116
ILE A 145
ILE A 150
ARG A 142
GLU A 146
 None
 1.18A 2ki5A-1qydA:
0.0		 2ki5A-1qydA:
21.47
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 GLU A  58
ILE A  56
GLN A 301
TYR A 331
ARG A 101
 None
 1.06A 2ki5A-1uwyA:
0.0		 2ki5A-1uwyA:
21.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 HIS A  58
GLN A 125
TYR A 172
ARG A 176
ARG A 220
 TMP  A 500 (-3.8A)
TMP  A 500 (-3.0A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.4A)
 1.44A 2ki5A-1vtkA:
47.2		 2ki5A-1vtkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		11 HIS A  58
GLU A  83
TRP A  88
ILE A  97
ILE A 100
TYR A 101
MET A 128
TYR A 172
ARG A 176
ARG A 222
GLU A 225
 TMP  A 500 (-3.8A)
TMP  A 500 (-2.7A)
None
TMP  A 500 ( 4.5A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-4.5A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.2A)
TMP  A 500 (-3.5A)
 0.78A 2ki5A-1vtkA:
47.2		 2ki5A-1vtkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		11 HIS A  58
TRP A  88
ILE A  97
ILE A 100
TYR A 101
GLN A 125
MET A 128
TYR A 172
ARG A 176
ARG A 222
GLU A 225
 TMP  A 500 (-3.8A)
None
TMP  A 500 ( 4.5A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.2A)
TMP  A 500 (-3.5A)
 0.63A 2ki5A-1vtkA:
47.2		 2ki5A-1vtkA:
100.00
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 HIS A 199
ILE A 182
ILE A  15
TYR A  11
GLU A 197
 None
 1.43A 2ki5A-1y8cA:
0.0		 2ki5A-1y8cA:
16.08
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 ILE C 242
ILE C 254
GLN C 246
ARG C 412
GLU C 258
 None
 1.31A 2ki5A-1zq1C:
0.0		 2ki5A-1zq1C:
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.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 TRP A  75
TYR A 100
GLN A 111
ARG A 208
GLU A 211
 None
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.4A)
DTP  A 301 (-3.5A)
 1.31A 2ki5A-2ocpA:
16.6		 2ki5A-2ocpA:
23.02
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.
3c3v ARACHIN ARAH3
ISOFORM

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		5 HIS A 202
GLU A 294
ILE A  46
ILE A  53
ARG A  81
 None
 1.26A 2ki5A-3c3vA:
undetectable		 2ki5A-3c3vA:
21.77
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.
3omv RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLU A 540
ILE A 474
ILE A 484
MET A 469
TYR A 534
 None
 1.38A 2ki5A-3omvA:
undetectable		 2ki5A-3omvA:
21.54
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.
4p05 ARYLSULFATE
SULFOTRANSFERASE
ASST

(Escherichia
coli) 		PF05935
(Arylsulfotrans)
PF17425
(Arylsulfotran_N) 		5 GLU A 253
ILE A 503
ILE A 504
ARG A 213
GLU A 505
 None
 1.31A 2ki5A-4p05A:
undetectable		 2ki5A-4p05A:
20.73
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		5 HIS A 691
GLU A 677
ILE A 674
ILE A 673
GLU A 179
 None
 1.42A 2ki5A-4p7hA:
undetectable		 2ki5A-4p7hA:
16.83
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 GLU A 206
ILE A 416
ILE A 413
ARG A 172
GLU A 409
 None
 1.48A 2ki5A-4pzvA:
undetectable		 2ki5A-4pzvA:
18.12
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		5 GLU A  66
ILE A  60
ILE A  36
TYR A  90
GLU A  58
 SO4  A2004 (-3.8A)
SO4  A2004 (-3.9A)
None
None
SO4  A2004 ( 4.2A)
 1.08A 2ki5A-5fb3A:
undetectable		 2ki5A-5fb3A:
22.39
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.
5y3x BETA-XYLANASE

(Caldicellulosiruptor
owensensis) 		no annotation 5 GLU A 114
ILE A 169
ILE A 165
ARG A 117
GLU A 172
 None
 1.45A 2ki5A-5y3xA:
undetectable		 2ki5A-5y3xA:
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.
6chs NPL4

(Chaetomium
thermophilum) 		no annotation 5 HIS A 546
GLU A 520
GLN A 553
ARG A 515
GLU A 309
 None
 1.33A 2ki5A-6chsA:
undetectable		 2ki5A-6chsA:
14.33