SIMILAR PATTERNS OF AMINO ACIDS FOR 2V41_A_BEZA1222_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.
1prx HORF6

(Homo sapiens) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  40
THR A  44
PRO A  45
VAL A  46
ALA A 151
 CSO  A  47 ( 4.8A)
CSO  A  47 ( 3.6A)
None
CSO  A  47 ( 3.1A)
CSO  A  47 ( 4.1A)
 0.99A 2v41A-1prxA:
27.2
2v41B-1prxA:
27.4		 2v41A-1prxA:
62.95
2v41B-1prxA:
62.95
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.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		5 THR A 135
PRO A 136
VAL A 170
ALA A 131
PRO A 104
 None
 1.43A 2v41A-1ub0A:
undetectable
2v41B-1ub0A:
undetectable		 2v41A-1ub0A:
24.10
2v41B-1ub0A:
24.10
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.
1y25 PROBABLE THIOL
PEROXIDASE

(Mycobacterium
tuberculosis) 		PF08534
(Redoxin) 		6 PRO A  53
THR A  57
PRO A  58
VAL A  59
SER A  60
ARG A 130
 None
ACT  A1200 (-3.6A)
ACT  A1200 (-3.6A)
ACT  A1200 (-3.7A)
ACT  A1200 (-2.8A)
ACT  A1200 (-3.1A)
 0.42A 2v41A-1y25A:
16.4
2v41B-1y25A:
16.5		 2v41A-1y25A:
25.11
2v41B-1y25A:
25.11
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.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		5 PRO A  50
VAL A  51
SER A  52
GLU A  80
ARG A  16
 None
 1.10A 2v41A-1zmbA:
undetectable
2v41B-1zmbA:
undetectable		 2v41A-1zmbA:
21.97
2v41B-1zmbA:
21.97
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.
2a4v PEROXIREDOXIN DOT5

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA) 		5 PRO A 100
THR A 104
PRO A 105
SER A 107
ARG A 175
 None
 0.61A 2v41A-2a4vA:
18.2
2v41B-2a4vA:
18.0		 2v41A-2a4vA:
25.32
2v41B-2a4vA:
25.32
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.
2ddw PYRIDOXINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		5 THR A 157
PRO A 158
VAL A 192
ALA A 153
PRO A 126
 None
 1.42A 2v41A-2ddwA:
undetectable
2v41B-2ddwA:
undetectable		 2v41A-2ddwA:
23.65
2v41B-2ddwA:
23.65
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.
2hzs RNA POLYMERASE II
MEDIATOR COMPLEX
SUBUNIT 20

(Saccharomyces
cerevisiae) 		PF08612
(Med20) 		5 PRO A 101
THR A  98
VAL A  92
SER A  97
ALA A  84
 None
 1.16A 2v41A-2hzsA:
undetectable
2v41B-2hzsA:
undetectable		 2v41A-2hzsA:
21.65
2v41B-2hzsA:
21.65
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.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		5 THR A 139
PRO A 140
VAL A 175
ALA A 135
PRO A 108
 None
 1.44A 2v41A-2i5bA:
undetectable
2v41B-2i5bA:
undetectable		 2v41A-2i5bA:
22.30
2v41B-2i5bA:
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.
2p10 MLL9387 PROTEIN

(Mesorhizobium
japonicum) 		PF09370
(PEP_hydrolase) 		5 THR A  94
PRO A  95
VAL A  96
GLU A  43
ALA A  40
 None
 1.48A 2v41A-2p10A:
undetectable
2v41B-2p10A:
undetectable		 2v41A-2p10A:
21.74
2v41B-2p10A:
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 THR G1301
VAL G1304
GLU G1594
ALA G1591
PRO G1322
 None
 1.32A 2v41A-2uv8G:
undetectable
2v41B-2uv8G:
undetectable		 2v41A-2uv8G:
7.53
2v41B-2uv8G:
7.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v41 PEROXIREDOXIN 6.

(Arenicola
marina) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		8 PRO A  38
THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
ALA A 147
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
BEZ  A1222 ( 3.7A)
 0.01A 2v41A-2v41A:
37.1
2v41B-2v41A:
34.6		 2v41A-2v41A:
100.00
2v41B-2v41A:
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.
2wfc PEROXIREDOXIN 5

(Arenicola
marina) 		PF08534
(Redoxin) 		5 PRO A  67
THR A  71
PRO A  72
SER A  74
ARG A 152
 None
 0.73A 2v41A-2wfcA:
18.3
2v41B-2wfcA:
18.4		 2v41A-2wfcA:
29.71
2v41B-2wfcA:
29.71
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.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		5 PRO A  54
THR A  58
PRO A  59
VAL A  60
ARG A 132
 None
 0.59A 2v41A-2yzhA:
15.7
2v41B-2yzhA:
15.9		 2v41A-2yzhA:
25.43
2v41B-2yzhA:
25.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z9s PEROXIREDOXIN-1

(Rattus
norvegicus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  45
THR A  49
VAL A  51
SER A  52
ARG A 128
 None
 0.28A 2v41A-2z9sA:
22.4
2v41B-2z9sA:
22.6		 2v41A-2z9sA:
30.17
2v41B-2z9sA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a5w PROBABLE
PEROXIREDOXIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  43
THR A  47
PRO A  48
VAL A  49
ARG A 126
 None
 0.32A 2v41A-3a5wA:
22.3
2v41B-3a5wA:
22.4		 2v41A-3a5wA:
33.20
2v41B-3a5wA:
33.20
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.
3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		5 PRO A  38
THR A  42
PRO A  43
SER A  45
ARG A 112
 CIT  A 500 (-3.6A)
CIT  A 500 (-2.9A)
CIT  A 500 (-3.6A)
CIT  A 500 (-2.5A)
CIT  A 500 (-3.7A)
 0.51A 2v41A-3drnA:
19.4
2v41B-3drnA:
19.3		 2v41A-3drnA:
27.78
2v41B-3drnA:
27.78
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.
3fhx PYRIDOXAL KINASE

(Homo sapiens) 		PF08543
(Phos_pyr_kin) 		5 THR A 148
PRO A 149
VAL A 183
ALA A 144
PRO A 114
 None
NA  A 402 (-4.8A)
None
None
None
 1.50A 2v41A-3fhxA:
undetectable
2v41B-3fhxA:
undetectable		 2v41A-3fhxA:
22.01
2v41B-3fhxA:
22.01
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.
3hjp PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG (BCP-4)

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		5 PRO A  38
THR A  42
VAL A  44
SER A  45
ARG A 119
 CL  A 700 ( 4.2A)
CL  A 700 (-3.2A)
None
CL  A 700 (-3.0A)
CL  A 700 (-3.5A)
 0.46A 2v41A-3hjpA:
21.0
2v41B-3hjpA:
21.1		 2v41A-3hjpA:
26.81
2v41B-3hjpA:
26.81
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.
3m7a UNCHARACTERIZED
PROTEIN

(Novosphingobium
aromaticivorans) 		PF02643
(DUF192) 		5 PRO A  41
VAL A  42
SER A  43
GLU A  86
ARG A  79
 None
 1.19A 2v41A-3m7aA:
undetectable
2v41B-3m7aA:
undetectable		 2v41A-3m7aA:
22.51
2v41B-3m7aA:
22.51
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.
3mbh PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacteroides
thetaiotaomicron) 		PF08543
(Phos_pyr_kin) 		5 THR A 143
PRO A 144
VAL A 181
ALA A 139
PRO A 112
 None
 1.48A 2v41A-3mbhA:
undetectable
2v41B-3mbhA:
undetectable		 2v41A-3mbhA:
23.97
2v41B-3mbhA:
23.97
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.
3sbc PEROXIREDOXIN TSA1

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PRO A  40
THR A  44
VAL A  46
SER A  47
ARG A 123
 None
 0.46A 2v41A-3sbcA:
21.3
2v41B-3sbcA:
21.2		 2v41A-3sbcA:
24.69
2v41B-3sbcA:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		7 PRO A  40
THR A  44
PRO A  45
VAL A  46
GLU A 118
ARG A 129
ALA A 148
 GOL  A 223 (-4.3A)
GOL  A 223 ( 4.3A)
GOL  A 223 (-3.6A)
GOL  A 223 (-3.7A)
GOL  A 223 (-3.4A)
GOL  A 223 (-4.1A)
GOL  A 223 (-3.6A)
 0.58A 2v41A-3tb2A:
30.1
2v41B-3tb2A:
30.0		 2v41A-3tb2A:
45.34
2v41B-3tb2A:
45.34
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 PRO A3775
THR A3256
VAL A3017
SER A3018
ALA A3150
 None
 1.41A 2v41A-3vkgA:
undetectable
2v41B-3vkgA:
undetectable		 2v41A-3vkgA:
5.36
2v41B-3vkgA:
5.36
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.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		5 THR A 147
PRO A 148
VAL A 182
ALA A 143
PRO A 118
 None
 1.49A 2v41A-3zs7A:
undetectable
2v41B-3zs7A:
undetectable		 2v41A-3zs7A:
22.51
2v41B-3zs7A:
22.51
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.
4af2 THIOL PEROXIDASE

(Escherichia
coli) 		PF08534
(Redoxin) 		5 PRO A  54
THR A  58
VAL A  60
SER A  61
ARG A 133
 None
 0.41A 2v41A-4af2A:
16.2
2v41B-4af2A:
16.7		 2v41A-4af2A:
24.90
2v41B-4af2A:
24.90
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.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE

(Staphylococcus
aureus) 		PF08543
(Phos_pyr_kin) 		5 THR A 137
PRO A 138
VAL A 173
ALA A 133
PRO A 106
 None
 1.43A 2v41A-4c5nA:
undetectable
2v41B-4c5nA:
undetectable		 2v41A-4c5nA:
23.69
2v41B-4c5nA:
23.69
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.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		5 THR A 139
PRO A 140
VAL A 174
ALA A 135
PRO A 108
 None
 1.43A 2v41A-4jjpA:
undetectable
2v41B-4jjpA:
undetectable		 2v41A-4jjpA:
21.71
2v41B-4jjpA:
21.71
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.
4yio SUPEROXIDE DISMUTASE

(Streptococcus
thermophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 THR A 149
PRO A 150
SER A 152
GLU A  53
PRO A 157
 None
 1.33A 2v41A-4yioA:
undetectable
2v41B-4yioA:
undetectable		 2v41A-4yioA:
21.96
2v41B-4yioA:
21.96
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.
4ywr PUTATIVE
HYDROXYMETHYLPYRIMID
INE
KINASE/PHOSPHOMETHYL
PYRIMIDINE KINASE

(Acinetobacter
baumannii) 		PF08543
(Phos_pyr_kin) 		5 THR A 144
PRO A 145
VAL A 174
ALA A 140
PRO A 113
 None
 1.43A 2v41A-4ywrA:
undetectable
2v41B-4ywrA:
undetectable		 2v41A-4ywrA:
23.78
2v41B-4ywrA:
23.78
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 THR B  60
PRO B  59
VAL B   8
SER B   9
PRO B  73
 None
 1.41A 2v41A-5d3mB:
undetectable
2v41B-5d3mB:
undetectable		 2v41A-5d3mB:
25.33
2v41B-5d3mB:
25.33
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.
5j9c PEROXIREDOXIN ASP F3

(Aspergillus
fumigatus) 		PF08534
(Redoxin) 		6 PRO A  54
THR A  58
PRO A  59
VAL A  60
SER A  61
ARG A 134
 None
 0.63A 2v41A-5j9cA:
17.4
2v41B-5j9cA:
17.4		 2v41A-5j9cA:
25.00
2v41B-5j9cA:
25.00
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PRO A 570
THR A 369
PRO A 600
VAL A 599
ALA A 175
 None
 1.17A 2v41A-5t0lA:
undetectable
2v41B-5t0lA:
undetectable		 2v41A-5t0lA:
16.93
2v41B-5t0lA:
16.93
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.
5xbq PEROXIREDOXIN

(Pyrococcus
horikoshii) 		no annotation 6 PRO A  39
THR A  43
PRO A  44
VAL A  45
ARG A 121
ALA A 140
 OCS  A  46 ( 3.3A)
OCS  A  46 ( 3.6A)
None
OCS  A  46 ( 3.0A)
OCS  A  46 ( 2.3A)
None
 0.52A 2v41A-5xbqA:
21.8
2v41B-5xbqA:
24.4		 2v41A-5xbqA:
undetectable
2v41B-5xbqA:
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.
6gww PEROXIREDOXIN

(Sulfolobus
islandicus) 		no annotation 5 PRO A  42
THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.23A 2v41A-6gwwA:
24.3
2v41B-6gwwA:
24.4		 2v41A-6gwwA:
undetectable
2v41B-6gwwA:
undetectable