SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3i99'

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.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		5 / 12 GLY A 331
LEU A 280
PRO A 247
VAL A 275
ALA A 253
 None
 1.09A 1gseA-3i99A:
undetectable		 1gseA-3i99A:
20.39
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		3 / 3 SER A 242
GLY A 241
ARG A 227
 PO4  A 359 (-2.9A)
FAD  A 358 (-3.6A)
FAD  A 358 (-3.1A)
 0.68A 1t9wA-3i99A:
3.0		 1t9wA-3i99A:
16.97
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.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		5 / 12 LEU A  58
GLY A  74
ILE A  60
VAL A  35
LEU A  34
 FAD  A 358 ( 4.9A)
None
FAD  A 358 (-4.0A)
None
None
 0.81A 1uakA-3i99A:
undetectable		 1uakA-3i99A:
19.89
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.
2VCT_D_ASDD1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		4 / 7 ILE A  60
GLY A  63
LEU A  67
PHE A  68
 FAD  A 358 (-4.0A)
FAD  A 358 (-3.3A)
None
None
 0.91A 2vctD-3i99A:
undetectable		 2vctD-3i99A:
20.56
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.
3H0A_A_9RAA500_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		3 / 3 ILE A 304
PHE A 244
HIS A 289
 None
 0.64A 3h0aA-3i99A:
undetectable		 3h0aA-3i99A:
21.90
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)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		4 / 6 ILE A  84
VAL A  97
LEU A 192
LEU A 118
 None
 0.85A 3kp6A-3i99A:
undetectable
3kp6B-3i99A:
undetectable		 3kp6A-3i99A:
16.62
3kp6B-3i99A:
16.62
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.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		5 / 10 ARG A 173
GLY A 140
VAL A 141
GLU A 142
ILE A 201
 FAD  A 358 ( 3.3A)
None
None
None
None
 1.44A 3uayA-3i99A:
undetectable		 3uayA-3i99A:
23.42
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.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		3 / 3 GLU A  85
TYR A 149
GLU A 151
 None
 0.83A 4ryaA-3i99A:
undetectable		 4ryaA-3i99A:
21.73
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.
4X20_B_LOCB502_1
(TUBULIN BETA CHAIN)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		5 / 12 LEU A 302
LEU A 286
LEU A 334
ALA A 284
ILE A 332
 PO4  A 359 (-4.6A)
None
None
None
None
 1.00A 4x20B-3i99A:
undetectable		 4x20B-3i99A:
21.46
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.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		5 / 12 LEU A  58
GLY A  74
ILE A  60
VAL A  35
LEU A  34
 FAD  A 358 ( 4.9A)
None
FAD  A 358 (-4.0A)
None
None
 0.80A 5wyqA-3i99A:
undetectable		 5wyqA-3i99A:
21.05
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.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		4 / 8 ASP A 218
TYR A 220
HIS A  93
LEU A 207
 None
 1.16A 5x19A-3i99A:
undetectable
5x19C-3i99A:
undetectable
5x19P-3i99A:
undetectable		 5x19A-3i99A:
20.27
5x19C-3i99A:
20.60
5x19P-3i99A:
20.60
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.
5X1B_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		4 / 7 ASP A 218
TYR A 220
HIS A  93
LEU A 207
 None
 1.19A 5x1bA-3i99A:
undetectable
5x1bC-3i99A:
undetectable
5x1bP-3i99A:
undetectable		 5x1bA-3i99A:
20.27
5x1bC-3i99A:
20.60
5x1bP-3i99A:
20.60
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.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		4 / 7 ASP A 218
TYR A 220
HIS A  93
LEU A 207
 None
 1.19A 5x1fA-3i99A:
undetectable
5x1fC-3i99A:
undetectable
5x1fP-3i99A:
undetectable		 5x1fA-3i99A:
20.27
5x1fC-3i99A:
20.60
5x1fP-3i99A:
20.60
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.
5YBB_A_SAMA601_0
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		5 / 12 ALA A 189
GLY A 129
CYH A 127
GLY A 100
PRO A 132
 None
FAD  A 358 ( 4.5A)
FAD  A 358 (-4.1A)
None
None
 1.12A 5ybbA-3i99A:
undetectable		 5ybbA-3i99A:
22.20
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_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		5 / 12 PHE A 340
VAL A 338
LEU A 280
ALA A 277
TYR A 330
 None
 1.17A 6djzC-3i99A:
undetectable		 6djzC-3i99A:
19.44
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.
6GNE_B_ACRB602_2
(-)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		4 / 8 TYR A 204
ASN A 246
TYR A 267
GLU A 337
 None
PO4  A 359 (-3.9A)
None
PO4  A 359 (-2.8A)
 1.25A 6gneB-3i99A:
undetectable		 6gneB-3i99A:
21.62
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.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		4 / 8 LEU A 207
ASP A 218
TYR A 220
HIS A  93
 None
 1.17A 6nknC-3i99A:
undetectable
6nknN-3i99A:
undetectable
6nknP-3i99A:
undetectable		 6nknC-3i99A:
20.60
6nknN-3i99A:
20.27
6nknP-3i99A:
20.60
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.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE
(Vibrio
cholerae) 		4 / 7 ASP A 218
TYR A 220
HIS A  93
LEU A 207
 None
 1.16A 6nmfA-3i99A:
undetectable
6nmfC-3i99A:
undetectable
6nmfP-3i99A:
undetectable		 6nmfA-3i99A:
20.27
6nmfC-3i99A:
20.60
6nmfP-3i99A:
20.60