SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3aw9'

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.
1E7A_A_PFLA4001_1
(SERUM ALBUMIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 9 LEU A  16
ILE A  12
LEU A 156
VAL A 228
ALA A 205
 None
NAD  A 901 (-4.4A)
None
None
None
 1.14A 1e7aA-3aw9A:
undetectable		 1e7aA-3aw9A:
19.86
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.
1YAJ_K_BEZK4387_0
(CES1 PROTEIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		3 / 3 TRP A 285
LEU A 210
LYS A  19
 None
 0.88A 1yajK-3aw9A:
2.4		 1yajK-3aw9A:
19.85
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.
1ZZR_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 7 TRP A 285
GLU A 207
VAL A 206
VAL A 228
 None
 1.19A 1zzrA-3aw9A:
undetectable
1zzrB-3aw9A:
undetectable		 1zzrA-3aw9A:
19.95
1zzrB-3aw9A:
19.95
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.
1ZZU_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 7 TRP A 285
GLU A 207
VAL A 206
VAL A 228
 None
 1.19A 1zzuA-3aw9A:
undetectable
1zzuB-3aw9A:
undetectable		 1zzuA-3aw9A:
19.95
1zzuB-3aw9A:
19.95
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.
2AOX_B_THAB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 7 PHE A 176
GLN A 195
TYR A 199
TRP A 265
 GDU  A 801 (-4.7A)
GDU  A 801 (-4.1A)
GDU  A 801 (-4.1A)
None
 1.28A 2aoxB-3aw9A:
3.9		 2aoxB-3aw9A:
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 12 ILE A   3
VAL A  61
ALA A 211
VAL A 105
TYR A 160
 None
 1.21A 2g72B-3aw9A:
5.2		 2g72B-3aw9A:
24.36
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		3 / 3 ARG A 203
ASN A 162
THR A 298
 None
GDU  A 801 ( 2.7A)
None
 0.70A 2q63A-3aw9A:
undetectable		 2q63A-3aw9A:
13.78
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.
2R2V_D_ACTD37_0
(GCN4 LEUCINE ZIPPER)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		3 / 3 LYS A  58
ARG A 102
VAL A 101
 None
 1.05A 2r2vC-3aw9A:
undetectable
2r2vD-3aw9A:
undetectable		 2r2vC-3aw9A:
9.09
2r2vD-3aw9A:
9.09
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.
2UYQ_A_SAMA1311_0
(HYPOTHETICAL PROTEIN
ML2640)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 7 GLY A  10
ASP A  31
ASP A  47
LEU A  48
 NAD  A 901 (-3.2A)
NAD  A 901 (-2.9A)
NAD  A 901 (-3.8A)
NAD  A 901 (-3.7A)
 0.85A 2uyqA-3aw9A:
4.7		 2uyqA-3aw9A:
26.57
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.
3AIC_F_ACRF5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		3 / 3 LEU A 279
TRP A 213
TYR A 160
 None
 0.99A 3aicF-3aw9A:
undetectable		 3aicF-3aw9A:
16.53
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.
3FHX_B_PXLB313_1
(PYRIDOXAL KINASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 8 VAL A 206
VAL A   5
HIS A  15
VAL A 202
 None
 1.11A 3fhxB-3aw9A:
2.3		 3fhxB-3aw9A:
22.42
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.
3JX2_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 7 VAL A 206
VAL A 228
TRP A 285
GLU A 207
 None
 1.17A 3jx2A-3aw9A:
undetectable
3jx2B-3aw9A:
undetectable		 3jx2A-3aw9A:
20.51
3jx2B-3aw9A:
20.51
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.
3JX3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 7 VAL A 206
VAL A 228
TRP A 285
GLU A 207
 None
 1.23A 3jx3A-3aw9A:
undetectable
3jx3B-3aw9A:
undetectable		 3jx3A-3aw9A:
20.51
3jx3B-3aw9A:
20.51
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.
3JX5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 7 VAL A 206
VAL A 228
TRP A 285
GLU A 207
 None
 1.22A 3jx5A-3aw9A:
undetectable
3jx5B-3aw9A:
undetectable		 3jx5A-3aw9A:
20.51
3jx5B-3aw9A:
20.51
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.
3NLJ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 7 VAL A 206
VAL A 228
TRP A 285
GLU A 207
 None
 1.20A 3nljA-3aw9A:
undetectable
3nljB-3aw9A:
undetectable		 3nljA-3aw9A:
20.75
3nljB-3aw9A:
20.75
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.
3NLP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 7 VAL A 206
VAL A 228
TRP A 285
GLU A 207
 None
 1.24A 3nlpA-3aw9A:
undetectable
3nlpB-3aw9A:
undetectable		 3nlpA-3aw9A:
20.51
3nlpB-3aw9A:
20.51
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.
3U9H_A_NCAA1163_0
(TANKYRASE-2)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 8 GLY A 114
ALA A 138
TYR A 113
GLU A 141
 None
 0.86A 3u9hA-3aw9A:
undetectable		 3u9hA-3aw9A:
20.13
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.
3U9H_B_NCAB1164_0
(TANKYRASE-2)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 8 GLY A 114
ALA A 138
TYR A 113
GLU A 141
 None
 0.87A 3u9hB-3aw9A:
undetectable		 3u9hB-3aw9A:
20.13
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		4 / 8 GLY A 114
ALA A 138
TYR A 113
GLU A 141
 None
 0.86A 4bjcA-3aw9A:
undetectable		 4bjcA-3aw9A:
20.13
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.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		6 / 12 GLY A   7
GLY A  10
ASP A  31
ILE A  32
ASP A  47
ALA A  66
 NAD  A 901 (-3.5A)
NAD  A 901 (-3.2A)
NAD  A 901 (-2.9A)
NAD  A 901 (-3.9A)
NAD  A 901 (-3.8A)
NAD  A 901 (-3.8A)
 1.35A 4iv8B-3aw9A:
5.7		 4iv8B-3aw9A:
23.96
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.
4JQ4_A_IMNA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 10 VAL A   5
VAL A  27
TYR A 160
TRP A 213
LEU A 210
 None
 1.26A 4jq4A-3aw9A:
undetectable		 4jq4A-3aw9A:
22.28
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 12 LEU A 168
ILE A  12
HIS A  15
GLU A 305
LEU A 302
 None
NAD  A 901 (-4.4A)
None
None
None
 1.49A 4r88A-3aw9A:
undetectable		 4r88A-3aw9A:
21.33
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 12 LEU A 168
ILE A  12
HIS A  15
GLU A 305
LEU A 302
 None
NAD  A 901 (-4.4A)
None
None
None
 1.49A 4r88B-3aw9A:
undetectable		 4r88B-3aw9A:
21.33
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.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 12 LEU A 168
ILE A  12
HIS A  15
GLU A 305
LEU A 302
 None
NAD  A 901 (-4.4A)
None
None
None
 1.50A 4r88C-3aw9A:
2.4		 4r88C-3aw9A:
21.33
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.
4R88_D_1LDD501_0
(CYTOSINE DEAMINASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 12 LEU A 168
ILE A  12
HIS A  15
GLU A 305
LEU A 302
 None
NAD  A 901 (-4.4A)
None
None
None
 1.48A 4r88D-3aw9A:
undetectable		 4r88D-3aw9A:
21.33
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.
4R88_E_1LDE501_0
(CYTOSINE DEAMINASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 12 LEU A 168
ILE A  12
HIS A  15
GLU A 305
LEU A 302
 None
NAD  A 901 (-4.4A)
None
None
None
 1.48A 4r88E-3aw9A:
undetectable		 4r88E-3aw9A:
21.33
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.
4R88_F_1LDF502_0
(CYTOSINE DEAMINASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 12 LEU A 168
ILE A  12
HIS A  15
GLU A 305
LEU A 302
 None
NAD  A 901 (-4.4A)
None
None
None
 1.49A 4r88F-3aw9A:
undetectable		 4r88F-3aw9A:
21.33
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.
4ZZB_E_ACTE403_0
(PROTON-GATED ION
CHANNEL)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		3 / 3 ARG A  97
TYR A  51
GLU A  94
 None
 0.66A 4zzbE-3aw9A:
undetectable		 4zzbE-3aw9A:
21.97
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 11 LEU A 226
GLY A 229
LEU A 282
THR A 209
ALA A 212
 None
 1.00A 5o96A-3aw9A:
undetectable
5o96B-3aw9A:
undetectable		 5o96A-3aw9A:
22.12
5o96B-3aw9A:
22.12
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.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		3 / 3 ASP A 232
ASN A 230
ASP A 204
 None
 0.82A 5vopA-3aw9A:
2.2		 5vopA-3aw9A:
21.25
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.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		3 / 3 ASP A 232
ASN A 230
ASP A 204
 None
 0.88A 5vopB-3aw9A:
2.6		 5vopB-3aw9A:
21.25
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E
(Pyrobaculum
calidifontis) 		5 / 12 VAL A  92
ALA A 136
ALA A 135
VAL A 132
SER A 131
 None
 1.03A 6c2mC-3aw9A:
undetectable		 6c2mC-3aw9A:
13.03