SIMILAR PATTERNS OF AMINO ACIDS FOR 2V41_B_BEZB1222

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)
 1.00A 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 PRO A 104
THR A 135
PRO A 136
VAL A 170
ALA A 131
 None
 1.42A 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
 1.06A 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
 0.68A 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 PRO A 126
THR A 157
PRO A 158
VAL A 192
ALA A 153
 None
 1.43A 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
 1.12A 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 PRO A 108
THR A 139
PRO A 140
VAL A 175
ALA A 135
 None
 1.43A 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 PRO G1322
THR G1301
VAL G1304
GLU G1594
ALA G1591
 None
 1.36A 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)
 0.14A 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
 0.75A 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
 0.62A 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
 0.32A 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)
 0.60A 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 PRO A 114
THR A 148
PRO A 149
VAL A 183
ALA A 144
 None
None
NA  A 402 (-4.8A)
None
None
 1.49A 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)
 0.54A 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
 1.18A 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 PRO A 112
THR A 143
PRO A 144
VAL A 181
ALA A 139
 None
 1.46A 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
 0.50A 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)
 0.54A 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.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		5 PRO A 118
THR A 147
PRO A 148
VAL A 182
ALA A 143
 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
 0.42A 2v41A-4af2A:
16.7
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 PRO A 106
THR A 137
PRO A 138
VAL A 173
ALA A 133
 None
 1.42A 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 PRO A 108
THR A 139
PRO A 140
VAL A 174
ALA A 135
 None
 1.41A 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.
4orz PROTEIN NEF
SINGLE DOMAIN
ANTIBODY SDAB19

(Human
immunodeficiency
virus 1;
Lama glama) 		PF00469
(F-protein)
PF07686
(V-set) 		5 PRO B 154
PRO B 151
VAL B 150
GLU C  48
ALA C  62
 None
 1.49A 2v41A-4orzB:
undetectable
2v41B-4orzB:
undetectable		 2v41A-4orzB:
20.72
2v41B-4orzB:
20.72
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 PRO A 157
THR A 149
PRO A 150
SER A 152
GLU A  53
 None
 1.28A 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 PRO A 113
THR A 144
PRO A 145
VAL A 174
ALA A 140
 None
 1.42A 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 PRO B  73
THR B  60
PRO B  59
VAL B   8
SER B   9
 None
 1.40A 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
 0.65A 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
 1.19A 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
 0.54A 2v41A-5xbqA:
24.3
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)
 0.25A 2v41A-6gwwA:
24.4
2v41B-6gwwA:
24.4		 2v41A-6gwwA:
undetectable
2v41B-6gwwA:
undetectable