SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3vcn'

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.
1AV2_D_DVAD6_0
(GRAMICIDIN A)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 TRP A 269
ALA A 266
VAL A 268
 None
 0.94A 1av2C-3vcnA:
undetectable
1av2D-3vcnA:
undetectable		 1av2C-3vcnA:
5.02
1av2D-3vcnA:
5.02
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.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 GLY A  33
ALA A  89
GLY A 292
ILE A 293
ILE A  67
 None
 0.80A 1hshA-3vcnA:
undetectable		 1hshA-3vcnA:
14.29
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.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 GLY A  33
ALA A  89
GLY A 292
ILE A 293
ILE A  67
 None
 0.79A 1hshC-3vcnA:
undetectable		 1hshC-3vcnA:
14.29
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 LEU A 288
PHE A 352
THR A  36
PRO A  14
GLY A  15
 None
 1.49A 1ia0B-3vcnA:
0.0		 1ia0B-3vcnA:
22.22
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.
1KIJ_A_NOVA400_1
(DNA GYRASE SUBUNIT B)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ASP A  96
ILE A 375
ASP A 378
LYS A 100
THR A  20
 None
 1.36A 1kijA-3vcnA:
undetectable		 1kijA-3vcnA:
22.05
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.
1NH8_A_HISA289_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		4 / 5 ASP A  34
LEU A  48
ALA A  88
LEU A 288
 None
 0.97A 1nh8A-3vcnA:
undetectable		 1nh8A-3vcnA:
23.64
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.
1RG1_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 TRP A 403
VAL A 392
PRO A 391
 None
 0.86A 1rg1A-3vcnA:
undetectable		 1rg1A-3vcnA:
23.16
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.
1RH0_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 TRP A 403
VAL A 392
PRO A 391
 None
 0.85A 1rh0A-3vcnA:
1.3		 1rh0A-3vcnA:
23.16
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.
1TLM_A_MILA128_1
(TRANSTHYRETIN)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 LEU A 109
LEU A 110
SER A 332
 None
 0.53A 1tlmA-3vcnA:
undetectable		 1tlmA-3vcnA:
17.62
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.
1TUB_B_TXLB501_1
(TUBULIN)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 LEU A 288
PHE A 352
THR A  36
PRO A  14
GLY A  15
 None
 1.49A 1tubB-3vcnA:
2.2		 1tubB-3vcnA:
22.22
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.
1YAJ_K_BEZK4387_0
(CES1 PROTEIN)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 TRP A 204
LEU A 202
LYS A 140
 None
 1.41A 1yajK-3vcnA:
undetectable		 1yajK-3vcnA:
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.
2GLU_A_SAMA301_0
(YCGJ)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 GLY A  33
HIS A 354
ASP A  34
ALA A  35
THR A  36
 None
GOL  A 506 (-3.7A)
None
None
None
 0.98A 2gluA-3vcnA:
undetectable		 2gluA-3vcnA:
21.06
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.
2IZQ_A_DVAA6_0
(GRAMICIDIN D)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 ALA A 266
VAL A 268
TRP A 269
 None
 0.91A 2izqA-3vcnA:
undetectable
2izqB-3vcnA:
undetectable		 2izqA-3vcnA:
5.02
2izqB-3vcnA:
5.02
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.
2NNK_A_ROCA401_2
(PROTEASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 ARG A 148
VAL A 153
THR A 159
 CO3  A 503 (-3.9A)
None
None
 0.87A 2nnkA-3vcnA:
undetectable		 2nnkA-3vcnA:
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.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		4 / 6 ARG A 223
ASN A 189
ASN A 402
LEU A 395
 None
 1.04A 2nyrA-3vcnA:
undetectable		 2nyrA-3vcnA:
22.36
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.
2YA7_A_ZMRA1776_2
(NEURAMINIDASE A)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		4 / 6 ARG A 343
ILE A 147
LEU A 202
GLU A 135
 GOL  A 506 ( 4.9A)
None
None
None
 0.84A 2ya7A-3vcnA:
undetectable		 2ya7A-3vcnA:
24.18
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.
2YA7_B_ZMRB1776_2
(NEURAMINIDASE A)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		4 / 6 ARG A 343
ILE A 147
LEU A 202
GLU A 135
 GOL  A 506 ( 4.9A)
None
None
None
 0.80A 2ya7B-3vcnA:
undetectable		 2ya7B-3vcnA:
24.18
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.
2YA7_D_ZMRD1776_2
(NEURAMINIDASE A)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		4 / 6 ARG A 343
ILE A 147
LEU A 202
GLU A 135
 GOL  A 506 ( 4.9A)
None
None
None
 0.86A 2ya7D-3vcnA:
0.5		 2ya7D-3vcnA:
24.18
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.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 ARG A 148
VAL A 153
THR A 159
 CO3  A 503 (-3.9A)
None
None
 0.85A 3cyxA-3vcnA:
undetectable		 3cyxA-3vcnA:
11.29
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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 10 ALA A  35
LEU A  48
ALA A   7
ILE A  23
LEU A  94
 None
 1.23A 3fl9F-3vcnA:
undetectable		 3fl9F-3vcnA:
18.18
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.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.41A 3k39A-3vcnA:
undetectable		 3k39A-3vcnA:
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39C-3vcnA:
undetectable		 3k39C-3vcnA:
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.
3K39_E_BCZE1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39E-3vcnA:
undetectable		 3k39E-3vcnA:
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.
3K39_F_BCZF1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39F-3vcnA:
undetectable		 3k39F-3vcnA:
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.
3K39_G_BCZG1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.41A 3k39G-3vcnA:
undetectable		 3k39G-3vcnA:
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.
3K39_H_BCZH1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39H-3vcnA:
undetectable		 3k39H-3vcnA:
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.
3K39_I_BCZI1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39I-3vcnA:
undetectable		 3k39I-3vcnA:
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.
3K39_K_BCZK1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.41A 3k39K-3vcnA:
undetectable		 3k39K-3vcnA:
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.
3K39_L_BCZL1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.42A 3k39L-3vcnA:
undetectable		 3k39L-3vcnA:
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.
3K39_M_BCZM1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.43A 3k39M-3vcnA:
undetectable		 3k39M-3vcnA:
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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.41A 3k39O-3vcnA:
undetectable		 3k39O-3vcnA:
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.
3L8L_B_DVAB6_0
(GRAMICIDIN D)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 TRP A 269
ALA A 266
VAL A 268
 None
 0.88A 3l8lA-3vcnA:
undetectable
3l8lB-3vcnA:
undetectable		 3l8lA-3vcnA:
5.02
3l8lB-3vcnA:
5.86
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.
3OGQ_A_AB1A200_2
(FIV PROTEASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 GLY A  33
ALA A  93
ASP A  96
ILE A  97
ILE A  10
 None
 1.07A 3ogqB-3vcnA:
undetectable		 3ogqB-3vcnA:
13.82
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.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 ALA A  35
GLY A  33
MET A  92
PHE A  18
HIS A 289
 None
 1.37A 3pfgA-3vcnA:
undetectable		 3pfgA-3vcnA:
20.70
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.
3S56_A_ROCA201_1
(PROTEASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 GLY A  33
ALA A  89
GLY A 292
ILE A 293
ILE A  67
 None
 0.87A 3s56A-3vcnA:
undetectable		 3s56A-3vcnA:
12.47
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.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 11 GLY A  33
ALA A  89
GLY A 291
GLY A 292
ILE A 293
 None
 0.83A 3ufnA-3vcnA:
undetectable		 3ufnA-3vcnA:
14.35
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.
4A7A_A_RGZA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 11 TYR A 160
LEU A 202
GLN A 150
ILE A 147
TYR A 187
 None
 1.36A 4a7aA-3vcnA:
undetectable		 4a7aA-3vcnA:
22.08
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.
4QC6_B_KANB201_2
(BIFUNCTIONAL AAC/APH)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 LEU A 176
ASP A 175
TYR A 389
 None
 0.56A 4qc6B-3vcnA:
undetectable		 4qc6B-3vcnA:
17.46
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 GLY A 311
GLY A 337
ASP A 238
ALA A 271
ALA A 285
 None
None
MG  A 501 ( 4.6A)
None
None
 1.16A 4uckB-3vcnA:
undetectable		 4uckB-3vcnA:
20.82
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.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		4 / 7 PHE A 234
ALA A 260
PRO A 258
LEU A 236
 None
 1.12A 5dzkD-3vcnA:
undetectable
5dzkR-3vcnA:
undetectable		 5dzkD-3vcnA:
20.09
5dzkR-3vcnA:
1.52
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.
5ESG_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		5 / 12 GLU A 200
TYR A 187
GLY A 225
THR A 257
LEU A 233
 None
 1.14A 5esgA-3vcnA:
undetectable		 5esgA-3vcnA:
21.70
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.
5KF8_A_GCSA404_1
(PREDICTED
ACETYLTRANSFERASE)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		4 / 8 PRO A 105
GLY A 366
PRO A 365
ASP A 367
 None
 1.12A 5kf8A-3vcnA:
undetectable		 5kf8A-3vcnA:
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 HIS A 344
GLU A 170
ASN A  38
 None
None
GOL  A 502 (-3.8A)
 0.94A 5wbvA-3vcnA:
undetectable		 5wbvA-3vcnA:
20.62
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.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		3 / 3 HIS A 344
GLU A 170
ASN A  38
 None
None
GOL  A 502 (-3.8A)
 0.95A 5wbvB-3vcnA:
undetectable		 5wbvB-3vcnA:
20.62
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_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3vcn MANNONATE
DEHYDRATASE
(Caulobacter
vibrioides) 		4 / 6 TRP A 403
LEU A 318
ASP A 238
GLU A 263
 None
None
MG  A 501 ( 4.6A)
MG  A 501 (-2.5A)
 1.50A 6djzC-3vcnA:
undetectable		 6djzC-3vcnA:
19.67