SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4q9d'

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.
2NPN_A_SAMA4633_0
(PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 THR A  78
GLY A  77
THR A  74
ALA A  99
LEU A  35
 None
 1.27A 2npnA-4q9dA:
1.7		 2npnA-4q9dA:
20.26
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.
2VAV_L_CSCL1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 THR A 381
LEU A 385
MET A 382
MET A 355
 None
 1.42A 2vavL-4q9dA:
1.2		 2vavL-4q9dA:
22.58
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.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLY A 406
ALA A 411
ALA A  55
VAL A 375
 None
 0.75A 3a2qA-4q9dA:
undetectable		 3a2qA-4q9dA:
24.66
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.
3FO7_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 HIS A   8
ASP A   9
TYR A  12
PRO A  39
 None
 1.47A 3fo7A-4q9dA:
undetectable		 3fo7A-4q9dA:
11.48
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.
3H1X_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 HIS A   8
ASP A   9
TYR A  12
PRO A  39
 None
 1.43A 3h1xA-4q9dA:
undetectable		 3h1xA-4q9dA:
11.48
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.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 PHE A 456
SER A 490
ILE A 489
VAL A 526
VAL A 503
 None
 1.23A 3iw1A-4q9dA:
undetectable		 3iw1A-4q9dA:
22.38
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.
3KIV_A_ACAA100_1
(APOLIPOPROTEIN)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ARG A  16
ASP A  13
ASP A   9
PHE A  42
 None
 1.40A 3kivA-4q9dA:
undetectable		 3kivA-4q9dA:
7.46
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A  81
GLY A  83
TRP A 407
LEU A  72
ALA A  55
 None
 1.06A 3ou6A-4q9dA:
2.1		 3ou6A-4q9dA:
17.71
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A  83
TRP A 407
GLY A  79
LEU A  72
ALA A  55
 None
 0.81A 3ou6A-4q9dA:
2.1		 3ou6A-4q9dA:
17.71
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A  81
GLY A  83
TRP A 407
LEU A  72
ALA A  55
 None
 1.02A 3ou6B-4q9dA:
3.7		 3ou6B-4q9dA:
17.71
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A  83
TRP A 407
GLY A  79
LEU A  72
ALA A  55
 None
 0.78A 3ou6B-4q9dA:
3.7		 3ou6B-4q9dA:
17.71
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A  81
GLY A  83
TRP A 407
LEU A  72
ALA A  55
 None
 1.07A 3ou7B-4q9dA:
undetectable		 3ou7B-4q9dA:
17.71
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A  83
TRP A 407
GLY A  79
LEU A  72
ALA A  55
 None
 0.83A 3ou7B-4q9dA:
undetectable		 3ou7B-4q9dA:
17.71
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.
3S8P_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 100
ALA A  99
ASN A  71
TYR A  44
PHE A  38
 None
 1.47A 3s8pA-4q9dA:
undetectable		 3s8pA-4q9dA:
19.67
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.
3UCB_A_017A201_1
(PROTEASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 322
GLY A 215
ALA A 214
VAL A 273
VAL A 318
 None
 0.67A 3ucbA-4q9dA:
undetectable		 3ucbA-4q9dA:
12.74
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ILE A 415
GLY A 406
ALA A 430
GLN A  49
 None
 0.87A 4g0uB-4q9dA:
undetectable		 4g0uB-4q9dA:
21.84
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.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A  11
TYR A  12
PHE A  38
THR A  98
LEU A  20
 None
 0.95A 4g1bD-4q9dA:
3.8		 4g1bD-4q9dA:
23.48
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A 525
VAL A 526
PRO A 528
GLU A 512
 None
 1.13A 4lb2A-4q9dA:
undetectable		 4lb2A-4q9dA:
22.27
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.
5LF3_H_BO2H306_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 447
THR A 446
ALA A 411
GLY A 414
ALA A 416
 None
 1.11A 5lf3H-4q9dA:
undetectable
5lf3I-4q9dA:
undetectable		 5lf3H-4q9dA:
18.28
5lf3I-4q9dA:
18.15
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.
5LF3_V_BO2V303_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 447
THR A 446
ALA A 411
GLY A 414
ALA A 416
 None
 1.11A 5lf3V-4q9dA:
undetectable
5lf3W-4q9dA:
undetectable		 5lf3V-4q9dA:
18.28
5lf3W-4q9dA:
18.15
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A  88
ALA A 411
GLY A  59
ALA A  57
LEU A  20
 None
 1.06A 5lf7H-4q9dA:
undetectable
5lf7I-4q9dA:
undetectable		 5lf7H-4q9dA:
18.28
5lf7I-4q9dA:
18.15
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.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A  88
ALA A 411
GLY A  59
ALA A  57
LEU A  20
 None
 1.05A 5lf7V-4q9dA:
undetectable
5lf7W-4q9dA:
undetectable		 5lf7V-4q9dA:
18.28
5lf7W-4q9dA:
18.15
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.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 PHE A  24
ILE A 432
PHE A 456
ALA A 430
ILE A 415
 None
 1.10A 5vc0A-4q9dA:
undetectable		 5vc0A-4q9dA:
23.27
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.
5Y9Y_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A 422
PHE A 398
ARG A 426
 None
 1.06A 5y9yA-4q9dA:
undetectable		 5y9yA-4q9dA:
20.29
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.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 VAL A 375
ALA A 399
THR A 391
VAL A 374
THR A 400
 None
 1.50A 6aogA-4q9dA:
2.5		 6aogA-4q9dA:
9.78
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.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 VAL A 375
ALA A 399
THR A 391
VAL A 374
THR A 400
 None
 1.47A 6aogB-4q9dA:
2.3		 6aogB-4q9dA:
9.78
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 221
ASP A 218
ALA A 224
LEU A 207
PRO A 243
 None
 1.08A 6bq4B-4q9dA:
undetectable		 6bq4B-4q9dA:
11.38
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.
6DH0_A_017A101_0
(PROTEASE)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 322
GLY A 215
ALA A 214
VAL A 273
VAL A 318
 None
 0.73A 6dh0A-4q9dA:
undetectable		 6dh0A-4q9dA:
9.26
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.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 LEU A 385
THR A 381
GLY A 433
ILE A 432
PHE A 397
 None
None
FMT  A 603 (-3.3A)
None
None
 0.95A 6gp2A-4q9dA:
undetectable		 6gp2A-4q9dA:
8.96
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.
6GP2_B_DAHB126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 4q9d BENZOYLFORMATE
DECARBOXYLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 LEU A 385
THR A 381
GLY A 433
ILE A 432
PHE A 397
 None
None
FMT  A 603 (-3.3A)
None
None
 0.92A 6gp2B-4q9dA:
undetectable		 6gp2B-4q9dA:
8.96