SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4f9d'

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.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 PHE A 120
PHE A 113
ILE A 127
PRO A 126
LEU A  74
None
1.10A 1drfA-4f9dA:
undetectable
1drfA-4f9dA:
13.93
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.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 4 HIS A 532
ALA A 255
PHE A 271
GLY A 530
None
1.21A 1mj2B-4f9dA:
undetectable
1mj2B-4f9dA:
12.11
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.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 4 HIS A 532
ALA A 255
PHE A 271
GLY A 530
None
1.20A 1mjoB-4f9dA:
undetectable
1mjoB-4f9dA:
12.11
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.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 4 HIS A 532
ALA A 255
PHE A 271
GLY A 530
None
1.19A 1mjoA-4f9dA:
undetectable
1mjoA-4f9dA:
12.11
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.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 4 HIS A 532
ALA A 255
PHE A 271
GLY A 530
None
1.20A 1mjoD-4f9dA:
undetectable
1mjoD-4f9dA:
12.11
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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 8 THR A 239
TRP A 186
LEU A 237
MET A 233
None
1.46A 1uw6A-4f9dA:
undetectable
1uw6B-4f9dA:
undetectable
1uw6A-4f9dA:
17.16
1uw6B-4f9dA:
17.16
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.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 5 LEU A 590
PRO A 543
VAL A 544
ILE A 545
None
1.00A 2aoiB-4f9dA:
undetectable
2aoiB-4f9dA:
10.21
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.
3DQT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
None
None
ACY  A 702 ( 4.9A)
None
1.38A 3dqtA-4f9dA:
undetectable
3dqtB-4f9dA:
undetectable
3dqtA-4f9dA:
21.04
3dqtB-4f9dA:
21.04
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.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 ILE A 287
ALA A 281
LEU A 104
GLU A 180
PRO A 134
None
1.38A 3eigA-4f9dA:
undetectable
3eigA-4f9dA:
13.93
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.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 9 VAL A 525
ALA A 527
ILE A 260
SER A 286
ILE A 533
None
1.34A 3hbbB-4f9dA:
undetectable
3hbbB-4f9dA:
22.32
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.
3JW3_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 9 ALA A 571
LEU A 606
VAL A 544
LEU A 561
ILE A 539
None
1.26A 3jw3B-4f9dA:
undetectable
3jw3B-4f9dA:
13.47
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.
3QX3_A_EVPA1_1
(DNA TOPOISOMERASE
2-BETA)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 5 GLY A 461
ASP A 460
ARG A 529
MET A 377
None
1.38A 3qx3A-4f9dA:
undetectable
3qx3A-4f9dA:
21.80
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.
3QX3_D_EVPD1_1
(DNA TOPOISOMERASE
2-BETA)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 5 GLY A 461
ASP A 460
ARG A 529
MET A 377
None
1.40A 3qx3B-4f9dA:
undetectable
3qx3B-4f9dA:
21.80
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.
3TJ7_C_ACTC610_0
(GBAA_1210 PROTEIN)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 ASN A 206
ALA A 458
ARG A 529
None
0.76A 3tj7C-4f9dA:
undetectable
3tj7D-4f9dA:
undetectable
3tj7C-4f9dA:
15.05
3tj7D-4f9dA:
15.05
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 PHE A 503
LYS A 510
SER A 511
None
1.22A 3tyeB-4f9dA:
6.8
3tyeB-4f9dA:
18.82
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.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 8 VAL A 140
TRP A 143
HIS A 189
PHE A 164
None
None
NI  A 701 ( 3.4A)
None
1.06A 3v35A-4f9dA:
7.0
3v35A-4f9dA:
21.59
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.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 11 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
None
None
None
ACY  A 702 ( 4.9A)
None
1.30A 4eilA-4f9dA:
undetectable
4eilA-4f9dA:
21.91
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.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 10 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
None
None
None
ACY  A 702 ( 4.9A)
None
1.24A 4eilB-4f9dA:
undetectable
4eilB-4f9dA:
21.91
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.
4EIL_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 10 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
None
None
None
ACY  A 702 ( 4.9A)
None
1.25A 4eilD-4f9dA:
undetectable
4eilD-4f9dA:
21.91
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.
4K5J_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
None
None
ACY  A 702 ( 4.9A)
None
1.41A 4k5jA-4f9dA:
undetectable
4k5jB-4f9dA:
undetectable
4k5jA-4f9dA:
21.00
4k5jB-4f9dA:
21.00
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.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
None
None
None
ACY  A 702 ( 4.9A)
None
1.31A 4kyaB-4f9dA:
undetectable
4kyaB-4f9dA:
21.91
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.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
None
1.12A 4kyaB-4f9dA:
undetectable
4kyaB-4f9dA:
21.91
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.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
None
None
None
ACY  A 702 ( 4.9A)
None
1.27A 4kyaD-4f9dA:
undetectable
4kyaD-4f9dA:
21.91
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.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
None
1.12A 4kyaD-4f9dA:
undetectable
4kyaD-4f9dA:
21.91
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.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
None
None
None
ACY  A 702 ( 4.9A)
None
1.27A 4kyaF-4f9dA:
undetectable
4kyaF-4f9dA:
21.91
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.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
None
1.12A 4kyaF-4f9dA:
undetectable
4kyaF-4f9dA:
21.91
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.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
None
None
None
ACY  A 702 ( 4.9A)
None
1.30A 4kyaH-4f9dA:
undetectable
4kyaH-4f9dA:
21.91
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.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
None
1.10A 4kyaH-4f9dA:
undetectable
4kyaH-4f9dA:
21.91
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.
4LRH_B_FOLB301_1
(FOLATE RECEPTOR
ALPHA)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 ASP A 229
TRP A 167
SER A 183
None
1.03A 4lrhB-4f9dA:
undetectable
4lrhB-4f9dA:
13.52
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.
4LRH_F_FOLF301_1
(FOLATE RECEPTOR
ALPHA)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 ASP A 229
TRP A 167
SER A 183
None
1.08A 4lrhF-4f9dA:
undetectable
4lrhF-4f9dA:
13.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P7N_A_GCSA702_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 ASP A 472
TYR A 473
TRP A 552
None
0.22A 4p7nA-4f9dA:
44.0
4p7nA-4f9dA:
56.63
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.
4Q0B_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 9 LEU A  81
LYS A 107
VAL A  50
TRP A  54
LEU A 111
None
1.46A 4q0bC-4f9dA:
0.5
4q0bC-4f9dA:
23.41
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.
4QYN_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 ILE A 462
ALA A 454
VAL A 442
LEU A 521
LEU A 375
None
0.98A 4qynA-4f9dA:
undetectable
4qynA-4f9dA:
12.72
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.
4QZT_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 12 MET A 317
ILE A 348
SER A 393
LEU A 321
LEU A 353
None
1.34A 4qztA-4f9dA:
undetectable
4qztA-4f9dA:
12.72
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.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 10 LEU A 608
SER A 624
LEU A 627
TRP A 630
LEU A 634
None
1.00A 4yiaA-4f9dA:
undetectable
4yiaA-4f9dA:
20.54
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.
5ADL_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
None
None
ACY  A 702 ( 4.9A)
None
1.36A 5adlA-4f9dA:
0.6
5adlB-4f9dA:
undetectable
5adlA-4f9dA:
21.00
5adlB-4f9dA:
21.00
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.
5C0O_H_SAMH301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 5 THR A 535
GLY A 461
GLU A 275
ASP A 565
None
1.23A 5c0oH-4f9dA:
undetectable
5c0oH-4f9dA:
16.69
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.
5FJ3_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
None
None
ACY  A 702 ( 4.9A)
None
1.37A 5fj3A-4f9dA:
undetectable
5fj3B-4f9dA:
undetectable
5fj3A-4f9dA:
21.00
5fj3B-4f9dA:
21.00
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.
5JMN_B_FUAB1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 5 ILE A  91
LEU A 237
HIS A 184
VAL A 249
None
None
NI  A 701 ( 3.4A)
None
1.06A 5jmnB-4f9dA:
0.4
5jmnB-4f9dA:
20.91
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 6 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
0.53A 5ncdA-4f9dA:
4.4
5ncdD-4f9dA:
9.3
5ncdA-4f9dA:
17.61
5ncdD-4f9dA:
17.61
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.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 6 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
0.50A 5ncdB-4f9dA:
4.8
5ncdC-4f9dA:
9.7
5ncdB-4f9dA:
17.61
5ncdC-4f9dA:
17.61
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.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 4 ASP A 114
HIS A 184
HIS A 189
HIS A  55
ACY  A 702 (-3.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
0.56A 5ncdD-4f9dA:
9.3
5ncdD-4f9dA:
17.61
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.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
6 / 8 ASP A 114
ASP A 115
HIS A 184
HIS A 189
PRO A 251
HIS A  55
ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-4.5A)
ACY  A 702 (-3.8A)
0.56A 5nekB-4f9dA:
4.0
5nekB-4f9dA:
8.69
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 8 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
0.59A 5nekD-4f9dA:
9.6
5nekD-4f9dA:
8.69
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
5 / 6 ASP A 114
ASP A 115
HIS A 184
HIS A 189
HIS A  55
ACY  A 702 (-3.7A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
0.57A 5nelA-4f9dA:
3.9
5nelD-4f9dA:
4.6
5nelA-4f9dA:
17.61
5nelD-4f9dA:
17.61
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 6 ASP A 114
HIS A 184
HIS A 189
HIS A  55
ACY  A 702 (-3.7A)
NI  A 701 ( 3.4A)
NI  A 701 ( 3.4A)
ACY  A 702 (-3.8A)
0.56A 5nelB-4f9dA:
9.5
5nelC-4f9dA:
2.7
5nelB-4f9dA:
17.61
5nelC-4f9dA:
17.61
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 HIS A  55
ASP A 115
HIS A 184
ACY  A 702 (-3.8A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
0.76A 5oexB-4f9dA:
undetectable
5oexB-4f9dA:
21.32
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 HIS A  55
ASP A 115
HIS A 184
ACY  A 702 (-3.8A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
0.73A 5oexC-4f9dA:
undetectable
5oexC-4f9dA:
21.32
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 HIS A  55
ASP A 115
HIS A 184
ACY  A 702 (-3.8A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
0.73A 5oexD-4f9dA:
undetectable
5oexD-4f9dA:
21.32
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.
5QGK_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 VAL A 109
TYR A  86
GLN A  87
None
0.73A 5qgkA-4f9dA:
undetectable
5qgkA-4f9dA:
15.91
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.
5QGR_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
3 / 3 VAL A 109
TYR A  86
GLN A  87
None
0.73A 5qgrA-4f9dA:
undetectable
5qgrA-4f9dA:
15.91
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 6 ASN A 256
ALA A 255
PRO A 202
VAL A 205
None
1.21A 5umd2-4f9dA:
undetectable
5umdF-4f9dA:
undetectable
5umd2-4f9dA:
8.67
5umdF-4f9dA:
9.69
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.
5VV7_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
None
None
ACY  A 702 ( 4.9A)
None
1.38A 5vv7A-4f9dA:
undetectable
5vv7B-4f9dA:
undetectable
5vv7A-4f9dA:
21.00
5vv7B-4f9dA:
21.00
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.
5VVN_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 7 TRP A  54
PHE A 301
SER A  53
VAL A 290
None
None
ACY  A 702 ( 4.9A)
None
1.34A 5vvnA-4f9dA:
undetectable
5vvnB-4f9dA:
undetectable
5vvnA-4f9dA:
21.00
5vvnB-4f9dA:
21.00
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.
5ZRF_D_EVPD101_1
()
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 5 GLY A 461
ASP A 460
ARG A 529
MET A 377
None
1.38A 5zrfB-4f9dA:
undetectable
5zrfB-4f9dA:
21.80
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.
5ZRF_F_EVPF1301_1
()
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 4 GLY A 461
ASP A 460
ARG A 529
MET A 377
None
1.32A 5zrfA-4f9dA:
undetectable
5zrfA-4f9dA:
21.80
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.
6AV7_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli)
4 / 7 SER A  53
VAL A 290
TRP A  54
PHE A 301
ACY  A 702 ( 4.9A)
None
None
None
1.35A 6av7A-4f9dA:
undetectable
6av7B-4f9dA:
0.0
6av7A-4f9dA:
8.56
6av7B-4f9dA:
8.56