SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2i99'

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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 10 THR A 287
ALA A 244
ALA A 221
VAL A 191
ILE A 201
 None
 0.90A 1claA-2i99A:
undetectable		 1claA-2i99A:
21.68
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.
1CTR_A_TFPA153_1
(CALMODULIN)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 9 ILE A 223
GLU A 239
GLU A 243
ALA A 244
VAL A 289
 None
 1.21A 1ctrA-2i99A:
undetectable		 1ctrA-2i99A:
19.14
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.
2F7F_A_NIOA601_1
(NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		4 / 6 SER A 102
GLY A 104
THR A 105
ARG A   3
 None
 0.91A 2f7fA-2i99A:
2.2		 2f7fA-2i99A:
21.94
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 12 ARG A 119
HIS A 151
VAL A 226
MET A  62
ASP A 299
 NDP  A 502 (-3.6A)
None
NDP  A 502 (-3.9A)
None
None
 0.87A 2qeoA-2i99A:
undetectable		 2qeoA-2i99A:
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.
2R2V_D_ACTD37_0
(GCN4 LEUCINE ZIPPER)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		3 / 3 LYS A 291
ARG A 234
VAL A 261
 None
 1.01A 2r2vC-2i99A:
undetectable
2r2vD-2i99A:
undetectable		 2r2vC-2i99A:
8.56
2r2vD-2i99A:
8.56
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		3 / 3 MET A 295
VAL A 248
GLU A 257
 None
 0.67A 3c6gA-2i99A:
undetectable		 3c6gA-2i99A:
21.55
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 12 GLY A  40
GLY A  37
ALA A  68
GLU A  69
THR A  29
 None
 1.13A 3p2kB-2i99A:
3.9		 3p2kB-2i99A:
22.99
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		3 / 4 SER A 150
GLY A 227
GLU A 257
 None
NDP  A 502 (-3.0A)
None
 0.62A 3raeA-2i99A:
undetectable
3raeC-2i99A:
undetectable		 3raeA-2i99A:
22.46
3raeC-2i99A:
22.73
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.
4A83_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 12 LEU A 139
ILE A 202
GLN A 158
ALA A 122
SER A 124
 None
 1.35A 4a83A-2i99A:
undetectable		 4a83A-2i99A:
24.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BVA_A_T3A1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		6 / 12 ARG A  47
GLY A  60
VAL A  77
SER A 229
PRO A 231
GLU A 257
 None
None
None
NDP  A 502 ( 4.0A)
None
None
 0.72A 4bvaA-2i99A:
21.4		 4bvaA-2i99A:
82.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BVA_A_T3A1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		6 / 12 ARG A  47
VAL A  49
GLY A  60
VAL A  77
PRO A 231
GLU A 257
 None
 0.64A 4bvaA-2i99A:
21.4		 4bvaA-2i99A:
82.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BVA_A_T3A1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		7 / 12 ARG A  47
VAL A  77
HIS A  92
SER A 229
PRO A 231
TRP A 233
GLU A 257
 None
None
NDP  A 502 (-3.9A)
NDP  A 502 ( 4.0A)
None
None
None
 0.81A 4bvaA-2i99A:
21.4		 4bvaA-2i99A:
82.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BVA_B_T3B1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		8 / 12 ARG A  47
VAL A  49
GLY A  60
VAL A  77
HIS A  92
SER A 229
PRO A 231
GLU A 257
 None
None
None
None
NDP  A 502 (-3.9A)
NDP  A 502 ( 4.0A)
None
None
 0.84A 4bvaB-2i99A:
21.3		 4bvaB-2i99A:
82.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BVA_B_T3B1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		7 / 12 ARG A  47
VAL A  77
HIS A  92
SER A 229
PRO A 231
TRP A 233
GLU A 257
 None
None
NDP  A 502 (-3.9A)
NDP  A 502 ( 4.0A)
None
None
None
 0.89A 4bvaB-2i99A:
21.3		 4bvaB-2i99A:
82.93
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		4 / 8 SER A  87
VAL A  88
VAL A 146
GLY A 145
 None
None
NDP  A 502 (-3.9A)
NDP  A 502 (-3.0A)
 1.02A 4mk4A-2i99A:
2.5		 4mk4A-2i99A:
20.05
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.
4PCU_B_SAMB603_0
(CYSTATHIONINE
BETA-SYNTHASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 9 ASP A 111
LEU A  59
THR A 116
ILE A 115
ASP A 299
 None
None
NDP  A 502 (-4.8A)
None
None
 1.50A 4pcuA-2i99A:
3.8
4pcuB-2i99A:
1.4		 4pcuA-2i99A:
21.12
4pcuB-2i99A:
21.12
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.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		3 / 3 LEU A 212
ASP A 260
ILE A 141
 None
 0.67A 4xi3D-2i99A:
undetectable		 4xi3D-2i99A:
23.03
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.
4YGF_A_AZMA303_1
(ALPHA-CARBONIC
ANHYDRASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 11 VAL A 297
VAL A 301
LEU A  31
THR A  29
ALA A  32
 None
 1.36A 4ygfA-2i99A:
undetectable		 4ygfA-2i99A:
18.58
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.
4YGF_G_AZMG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 12 VAL A 297
VAL A 301
LEU A  31
THR A  29
ALA A  32
 None
 1.38A 4ygfG-2i99A:
undetectable		 4ygfG-2i99A:
18.58
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.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 12 VAL A 289
ALA A 225
VAL A 191
ILE A 201
THR A 203
 None
 0.83A 5hieD-2i99A:
undetectable		 5hieD-2i99A:
21.18
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 12 ILE A 154
VAL A 114
SER A 150
ALA A 121
ALA A 125
 None
 1.13A 5n0oB-2i99A:
undetectable		 5n0oB-2i99A:
22.96
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.
5N0S_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 12 ILE A 154
VAL A 114
SER A 150
ILE A 126
ALA A 125
 None
 1.02A 5n0sB-2i99A:
undetectable		 5n0sB-2i99A:
21.83
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.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 12 ILE A 154
VAL A 114
ALA A 121
ILE A 126
ALA A 125
 None
 0.90A 5n0tB-2i99A:
undetectable		 5n0tB-2i99A:
22.09
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.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 12 GLY A  57
HIS A  55
VAL A  88
GLN A  93
VAL A  77
 None
 1.25A 5n0xB-2i99A:
2.3		 5n0xB-2i99A:
21.83
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.
5TT3_B_EZLB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		5 / 9 VAL A 297
VAL A 301
LEU A  31
THR A  29
ALA A  32
 None
 1.27A 5tt3B-2i99A:
undetectable		 5tt3B-2i99A:
18.58
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.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		3 / 3 GLY A 273
VAL A 297
MET A 295
 None
 0.56A 5ycpA-2i99A:
undetectable		 5ycpA-2i99A:
14.19
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.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 2i99 MU-CRYSTALLIN
HOMOLOG
(Homo
sapiens) 		3 / 3 ILE A 154
ASN A 224
CYH A 140
 None
 0.79A 6bp4A-2i99A:
undetectable		 6bp4A-2i99A:
24.28