SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3mml'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
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.
1DSC_C_DVAC2_0
(ACTINOMYCIN D)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis)
3 / 3 THR B 117
PRO B 120
THR B 119
None
0.93A 1dscC-3mmlB:
undetectable
1dscC-3mmlB:
6.10
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.
1F86_B_T44B528_1
(TRANSTHYRETIN
THR119MET VARIANT)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis)
4 / 4 LYS B  52
LEU B  50
ALA B  13
LEU B  15
None
0.72A 1f86B-3mmlB:
undetectable
1f86B-3mmlB:
16.52
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.
1IE4_B_T44B328_1
(TRANSTHYRETIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1
ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 8 LYS B  52
ALA B  13
LEU B  15
ALA A 236
None
0.92A 1ie4B-3mmlB:
undetectable
1ie4D-3mmlB:
undetectable
1ie4B-3mmlB:
17.75
1ie4D-3mmlB:
17.75
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.
1RU9_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
5 / 9 LEU A 218
GLY A 243
PHE A 244
TRP A 200
GLY A 215
None
1.02A 1ru9H-3mmlA:
1.5
1ru9L-3mmlA:
1.7
1ru9H-3mmlA:
22.53
1ru9L-3mmlA:
19.25
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.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
5 / 10 LEU A 218
GLY A 243
PHE A 244
TRP A 200
GLY A 215
None
1.03A 1ruaH-3mmlA:
undetectable
1ruaL-3mmlA:
undetectable
1ruaH-3mmlA:
22.53
1ruaL-3mmlA:
19.25
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 8 LEU A 218
GLY A 243
TRP A 200
GLY A 215
None
0.77A 1rukH-3mmlA:
undetectable
1rukL-3mmlA:
undetectable
1rukH-3mmlA:
22.53
1rukL-3mmlA:
19.25
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
5 / 10 GLY A 121
GLY A 122
ILE A 123
VAL A  76
ILE A  74
None
0.91A 1sdtA-3mmlA:
undetectable
1sdtA-3mmlA:
17.80
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2
ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis;
Mycolicibacteriu
m
smegmatis)
3 / 3 GLY A 183
ASP A 186
ASN B   8
None
0.62A 1vq1A-3mmlA:
undetectable
1vq1A-3mmlA:
23.51
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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A 249
GLY A 235
ASP A 135
SER A  32
ARG A  37
None
1.17A 1wg8A-3mmlA:
undetectable
1wg8A-3mmlA:
22.87
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.
2QB4_A_DSMA801_1
(TRANSPORTER)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A   8
ALA A  14
PHE A  63
LEU A 151
ASP A 149
None
1.16A 2qb4A-3mmlA:
undetectable
2qb4A-3mmlA:
20.61
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.
2ZIA_B_CL9B401_2
(DEOXYCYTIDINE KINASE)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 4 ARG A 208
ASP A 207
LEU A 248
ARG A  21
None
1.24A 2ziaB-3mmlA:
undetectable
2ziaB-3mmlA:
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.
3AQI_B_CHDB5_0
(FERROCHELATASE)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
3 / 3 PRO A 144
LEU A  15
ARG A 114
None
0.84A 3aqiB-3mmlA:
undetectable
3aqiB-3mmlA:
22.60
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.
3AX7_A_SALA1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 8 SER A 206
THR A 203
VAL A 202
LEU A 213
None
1.02A 3ax7A-3mmlA:
undetectable
3ax7A-3mmlA:
13.15
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.
3B9L_A_AZZA1010_1
(SERUM ALBUMIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis)
4 / 8 LEU B 161
PHE B 128
ARG B 147
GLY B 175
None
0.81A 3b9lA-3mmlB:
undetectable
3b9lA-3mmlB:
17.29
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.
3D91_B_REMB350_1
(RENIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A  51
VAL A  47
LEU A  19
ALA A  54
SER A 133
None
1.26A 3d91B-3mmlA:
undetectable
3d91B-3mmlA:
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.
3GWU_A_SREA801_1
(TRANSPORTER)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A   8
ALA A  14
PHE A  63
LEU A 151
ASP A 149
None
1.31A 3gwuA-3mmlA:
undetectable
3gwuA-3mmlA:
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.
3KP6_B_SALB3003_1
(TRANSCRIPTIONAL
REGULATOR TCAR)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis)
4 / 6 ILE B  42
VAL B  39
LEU B  53
LEU B  14
None
0.76A 3kp6A-3mmlB:
undetectable
3kp6B-3mmlB:
undetectable
3kp6A-3mmlB:
20.87
3kp6B-3mmlB:
20.87
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis)
4 / 8 ILE B  89
ALA B 196
VAL B 123
VAL B 204
None
0.77A 3me6B-3mmlB:
undetectable
3me6B-3mmlB:
18.80
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 8 PHE A  63
ILE A  74
THR A   3
VAL A  98
None
0.83A 3me6B-3mmlA:
undetectable
3me6B-3mmlA:
23.26
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis)
5 / 9 VAL B 168
ILE B  89
ALA B 196
VAL B 123
VAL B 204
None
0.99A 3me6D-3mmlB:
undetectable
3me6D-3mmlB:
18.80
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.
3P2K_A_SAMA6735_1
(16S RRNA METHYLASE)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
3 / 3 ASP A  36
GLU A 266
SER A 111
None
0.83A 3p2kA-3mmlA:
undetectable
3p2kA-3mmlA:
20.68
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.
3PGL_A_RZXA257_1
(CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 7 PHE A  90
VAL A  98
ILE A  74
SER A  64
None
1.00A 3pglA-3mmlA:
undetectable
3pglA-3mmlA:
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.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
5 / 6 LEU A  19
ARG A 234
ASP A  36
GLU A  17
ALA A 118
None
1.08A 4nkxA-3mmlA:
undetectable
4nkxA-3mmlA:
20.51
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2
ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis;
Mycolicibacteriu
m
smegmatis)
5 / 12 GLY A  28
GLY B 131
ASP B  41
ALA B  45
THR B  48
None
1.11A 4uckB-3mmlA:
undetectable
4uckB-3mmlA:
19.17
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.
4URO_B_NOVB2000_1
(DNA GYRASE SUBUNIT B)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
5 / 12 SER A 115
GLU A  57
ARG A 208
ILE A  56
ILE A 123
None
1.37A 4uroB-3mmlA:
undetectable
4uroB-3mmlA:
22.26
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.
4ZZB_E_ACTE403_0
(PROTON-GATED ION
CHANNEL)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
3 / 3 ARG A 208
TYR A 116
GLU A  57
None
0.65A 4zzbE-3mmlA:
undetectable
4zzbE-3mmlA:
23.45
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.
5IGI_A_ZITA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1
ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 6 PRO A 245
GLU A 266
ALA A 286
TYR B   9
None
1.08A 5igiA-3mmlA:
undetectable
5igiA-3mmlA:
25.21
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.
5L6E_B_ACTB401_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 6 GLU A  57
ARG A 114
LEU A  13
ARG A 208
None
0.89A 5l6eA-3mmlA:
undetectable
5l6eB-3mmlA:
undetectable
5l6eA-3mmlA:
23.12
5l6eB-3mmlA:
19.39
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.
5QGW_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2
ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis;
Mycolicibacteriu
m
smegmatis)
3 / 3 VAL A 181
VAL A 263
GLN B  12
None
0.69A 5qgwA-3mmlA:
undetectable
5qgwA-3mmlA:
23.73
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.
5QH1_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2
ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis;
Mycolicibacteriu
m
smegmatis)
3 / 3 VAL A 181
VAL A 263
GLN B  12
None
0.72A 5qh1A-3mmlA:
undetectable
5qh1A-3mmlA:
23.73
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.
5QHA_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2
ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis;
Mycolicibacteriu
m
smegmatis)
3 / 3 VAL A 181
VAL A 263
GLN B  12
None
0.65A 5qhaA-3mmlA:
undetectable
5qhaA-3mmlA:
23.73
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.
6CDU_I_EY4I500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis)
4 / 5 GLN B 205
VAL B  87
PRO B 120
THR B 199
None
1.38A 6cduI-3mmlB:
undetectable
6cduJ-3mmlB:
undetectable
6cduI-3mmlB:
18.94
6cduJ-3mmlB:
18.94
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1
ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 5 LEU A 227
THR A 255
PRO B 150
ARG B 147
None
1.30A 6ew0B-3mmlA:
undetectable
6ew0B-3mmlA:
15.72
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.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1
ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 5 LEU A 227
THR A 255
PRO B 150
ARG B 147
None
1.30A 6ew0D-3mmlA:
undetectable
6ew0D-3mmlA:
15.72
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.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1
ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 5 LEU A 227
THR A 255
PRO B 150
ARG B 147
None
1.30A 6ew0H-3mmlA:
undetectable
6ew0H-3mmlA:
15.72
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.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1
ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacteriu
m
smegmatis)
4 / 5 LEU A 227
THR A 255
PRO B 150
ARG B 147
None
1.30A 6ew0I-3mmlA:
undetectable
6ew0I-3mmlA:
15.72
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.
6F32_B_ACTB602_0
(AMINE OXIDASE LKCE)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2
ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis;
Mycolicibacteriu
m
smegmatis)
4 / 6 TYR B 134
VAL B  43
VAL A 254
THR A 255
None
1.33A 6f32B-3mmlB:
undetectable
6f32B-3mmlB:
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.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2
ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis;
Mycolicibacteriu
m
smegmatis)
4 / 7 SER B 173
ALA B 129
ILE A 140
ALA A 139
None
0.88A 6ma7A-3mmlB:
undetectable
6ma7A-3mmlB:
17.18
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.
6NMP_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1

(Mycolicibacteriu
m
smegmatis)
4 / 5 LEU B 161
GLN B 143
PHE B 165
PHE B 206
None
1.27A 6nmpP-3mmlB:
undetectable
6nmpW-3mmlB:
undetectable
6nmpP-3mmlB:
19.05
6nmpW-3mmlB:
10.53