SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2grv'

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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A 393
VAL A 422
LEU A 309
LEU A 310
 None
 0.88A 1cqpA-2grvA:
undetectable
1cqpB-2grvA:
undetectable		 1cqpA-2grvA:
14.57
1cqpB-2grvA:
14.57
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.
1DRF_A_FOLA187_1
(DIHYDROFOLATE
REDUCTASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLU A 551
ASN A 520
ARG A 447
THR A 339
 None
 0.95A 1drfA-2grvA:
0.0		 1drfA-2grvA:
14.65
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.
1HRK_A_CHDA1502_0
(FERROCHELATASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A  58
PRO A  68
VAL A 587
GLY A 588
 None
 1.02A 1hrkA-2grvA:
undetectable		 1hrkA-2grvA:
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.
1HRK_B_CHDB2502_0
(FERROCHELATASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A  58
PRO A  68
VAL A 587
GLY A 588
 None
 1.03A 1hrkB-2grvA:
undetectable		 1hrkB-2grvA:
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.
1JG2_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 451
GLU A 166
GLY A 137
ALA A 454
LEU A 537
 None
 0.98A 1jg2A-2grvA:
undetectable		 1jg2A-2grvA:
14.74
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.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A 465
LEU A 302
GLY A 462
TYR A 461
GLN A 327
 None
 1.12A 1qabF-2grvA:
undetectable		 1qabF-2grvA:
14.74
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.
1RXC_C_URFC2081_1
(URIDINE
PHOSPHORYLASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLY A 588
GLN A 253
VAL A 585
PRO A 278
 None
 1.05A 1rxcC-2grvA:
undetectable		 1rxcC-2grvA:
17.86
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A 333
TYR A 336
GLU A 551
 None
 0.66A 1vm1A-2grvA:
undetectable		 1vm1A-2grvA:
18.68
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.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 VAL A 560
ALA A 326
PRO A 341
GLU A 551
ASP A 333
 None
 1.30A 2admB-2grvA:
undetectable		 2admB-2grvA:
20.49
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_B_PXLB1005_1
(PYRIDOXINE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 7 THR A 401
PRO A 400
GLY A 316
ASP A 318
 None
 0.99A 2ddwB-2grvA:
undetectable		 2ddwB-2grvA:
19.68
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.
2FUM_D_MIXD3539_2
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		3 / 3 VAL A 444
VAL A 403
ASP A 419
 None
 0.78A 2fumD-2grvA:
2.6		 2fumD-2grvA:
23.46
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.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 5 LEU A 285
LEU A 413
ILE A 305
ALA A 300
 None
 0.71A 2i2zA-2grvA:
undetectable		 2i2zA-2grvA:
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  47
ASN A  52
THR A 277
 None
 0.75A 2q63B-2grvA:
undetectable		 2q63B-2grvA:
10.40
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 None
 1.21A 3bexC-2grvA:
undetectable
3bexD-2grvA:
undetectable		 3bexC-2grvA:
18.08
3bexD-2grvA:
18.08
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 10 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.21A 3bexC-2grvA:
undetectable
3bexD-2grvA:
undetectable		 3bexC-2grvA:
18.08
3bexD-2grvA:
18.08
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.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 10 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 None
 1.22A 3bexE-2grvA:
undetectable
3bexF-2grvA:
undetectable		 3bexE-2grvA:
18.08
3bexF-2grvA:
18.08
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.22A 3bexE-2grvA:
undetectable
3bexF-2grvA:
undetectable		 3bexE-2grvA:
18.08
3bexF-2grvA:
18.08
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 None
 1.16A 3bf1A-2grvA:
undetectable
3bf1B-2grvA:
undetectable		 3bf1A-2grvA:
18.08
3bf1B-2grvA:
18.08
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.15A 3bf1A-2grvA:
undetectable
3bf1B-2grvA:
undetectable		 3bf1A-2grvA:
18.08
3bf1B-2grvA:
18.08
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 None
 1.19A 3bf1C-2grvA:
undetectable
3bf1D-2grvA:
undetectable		 3bf1C-2grvA:
18.08
3bf1D-2grvA:
18.08
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.22A 3bf1C-2grvA:
undetectable
3bf1D-2grvA:
undetectable		 3bf1C-2grvA:
18.08
3bf1D-2grvA:
18.08
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 None
 1.22A 3bf1E-2grvA:
undetectable
3bf1F-2grvA:
undetectable		 3bf1E-2grvA:
18.08
3bf1F-2grvA:
18.08
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.20A 3bf1E-2grvA:
undetectable
3bf1F-2grvA:
undetectable		 3bf1E-2grvA:
18.08
3bf1F-2grvA:
18.08
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.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ALA A 293
ALA A 287
THR A 522
LEU A 466
 None
 1.02A 3l4dD-2grvA:
undetectable		 3l4dD-2grvA:
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.
3TL9_A_ROCA401_4
(PROTEASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ASP A 317
ASP A 318
GLY A 314
THR A 567
 None
 0.88A 3tl9B-2grvA:
undetectable		 3tl9B-2grvA:
9.85
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.
3ZMD_A_SALA201_1
(PUTATIVE
TRANSCRIPTIONAL
REGULATOR)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ARG A 165
LEU A  80
TYR A 100
GLU A  89
 None
 1.27A 3zmdA-2grvA:
undetectable
3zmdB-2grvA:
undetectable		 3zmdA-2grvA:
14.82
3zmdB-2grvA:
14.82
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.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 6 GLU A 148
PRO A 104
LYS A 101
GLU A  86
 None
 1.37A 4a7tA-2grvA:
0.0		 4a7tA-2grvA:
14.58
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.
4A7T_F_5FWF1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 6 GLU A 148
PRO A 104
LYS A 101
GLU A  86
 None
 1.38A 4a7tF-2grvA:
undetectable		 4a7tF-2grvA:
14.58
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.
4A7U_A_ALEA1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 6 GLU A 148
PRO A 104
LYS A 101
GLU A  86
 None
 1.40A 4a7uA-2grvA:
0.0		 4a7uA-2grvA:
14.58
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 8 GLY A 247
ASN A 246
PRO A 574
ILE A 267
 None
 0.95A 4j4vC-2grvA:
undetectable		 4j4vC-2grvA:
15.97
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 GLN A 327
ALA A 326
ALA A 324
THR A 322
VAL A 276
 None
 1.14A 4j6cA-2grvA:
undetectable		 4j6cA-2grvA:
22.68
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.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLN A 327
ALA A 326
ALA A 324
THR A 322
VAL A 276
 None
 1.14A 4j6cB-2grvA:
undetectable		 4j6cB-2grvA:
22.68
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.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLN A 327
ALA A 326
ALA A 324
THR A 322
VAL A 276
 None
 1.08A 4j6dA-2grvA:
undetectable		 4j6dA-2grvA:
22.68
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.
4J6D_B_TESB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLN A 327
ALA A 326
ALA A 324
THR A 322
VAL A 276
 None
 1.09A 4j6dB-2grvA:
undetectable		 4j6dB-2grvA:
22.68
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.
4J7X_B_SASB804_2
(SEPIAPTERIN
REDUCTASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		3 / 3 LEU A 188
MET A 192
ASP A 117
 None
 0.74A 4j7xB-2grvA:
undetectable		 4j7xB-2grvA:
19.05
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.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLN A 327
ALA A 326
ALA A 324
THR A 322
VAL A 276
 None
 1.12A 4jbtA-2grvA:
undetectable		 4jbtA-2grvA:
22.68
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.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 11 GLN A 327
ALA A 326
ALA A 324
THR A 322
VAL A 276
 None
 1.11A 4jbtB-2grvA:
undetectable		 4jbtB-2grvA:
22.68
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 None
 1.25A 4o5fA-2grvA:
undetectable
4o5fB-2grvA:
undetectable		 4o5fA-2grvA:
22.24
4o5fB-2grvA:
22.24
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.26A 4o5fA-2grvA:
undetectable
4o5fB-2grvA:
undetectable		 4o5fA-2grvA:
22.24
4o5fB-2grvA:
22.24
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.
4OMW_D_TE4D202_1
(BETA-LACTOGLOBULIN)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 9 LEU A  45
ASN A  41
ASN A  52
ALA A  53
GLN A 448
 None
 1.35A 4omwD-2grvA:
0.0		 4omwD-2grvA:
14.23
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.
4QVQ_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A 409
THR A 408
ALA A 406
ILE A 418
ALA A 420
 None
 1.13A 4qvqK-2grvA:
undetectable
4qvqL-2grvA:
undetectable		 4qvqK-2grvA:
13.89
4qvqL-2grvA:
17.31
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.
4QVQ_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A 409
THR A 408
ALA A 406
ILE A 418
ALA A 420
 None
 1.13A 4qvqY-2grvA:
undetectable
4qvqZ-2grvA:
undetectable		 4qvqY-2grvA:
13.89
4qvqZ-2grvA:
17.31
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 8 LEU A 393
GLY A 394
VAL A 422
ALA A 410
LEU A 413
 None
 1.21A 4zauA-2grvA:
undetectable		 4zauA-2grvA:
18.95
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 None
 1.23A 5b8hA-2grvA:
undetectable
5b8hB-2grvA:
undetectable		 5b8hA-2grvA:
21.54
5b8hB-2grvA:
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.
5E5K_B_017B201_1
(HIV-1 PROTEASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		6 / 12 LEU A 122
ASP A  81
ILE A 114
GLY A 197
PRO A 173
ILE A 171
 None
 1.31A 5e5kA-2grvA:
undetectable		 5e5kA-2grvA:
10.47
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.
5G5G_A_ACTA1231_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A 279
THR A 401
ASP A 399
 None
 0.73A 5g5gA-2grvA:
undetectable
5g5gB-2grvA:
undetectable		 5g5gA-2grvA:
16.67
5g5gB-2grvA:
21.02
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.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 141
PHE A 157
SER A 158
PHE A 168
LEU A 122
 None
 1.21A 5uanB-2grvA:
undetectable		 5uanB-2grvA:
20.98
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.
5UUN_B_ACTB309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		3 / 3 TYR A 119
ALA A  88
TYR A 100
 None
 0.83A 5uunB-2grvA:
undetectable		 5uunB-2grvA:
18.84
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.
5VW5_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 8 GLY A 183
GLY A 187
LEU A 188
ALA A 191
 None
 0.75A 5vw5A-2grvA:
undetectable		 5vw5A-2grvA:
19.81
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2grv LPQW
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ASP A 134
GLN A  48
VAL A 133
ALA A 326
 None
 1.24A 6djzB-2grvA:
undetectable		 6djzB-2grvA:
17.18