SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pdi'

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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 PHE B 146
GLY B  23
ALA B  25
GLY B  30
LEU B  31
None
1.13A 1fe2A-3pdiB:
undetectable
1fe2A-3pdiB:
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.
1IGX_A_EPAA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 PHE B 146
GLY B  23
ALA B  25
GLY B  30
LEU B  31
None
1.14A 1igxA-3pdiB:
undetectable
1igxA-3pdiB:
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.
1KT6_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 11 LEU A 228
MET A 171
TYR A 174
LEU A  46
HIS A 241
None
1.48A 1kt6A-3pdiA:
undetectable
1kt6A-3pdiA:
18.35
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.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 6 LEU B 325
ASP B 329
LEU B 332
ARG B 333
None
0.94A 1mt1A-3pdiB:
undetectable
1mt1F-3pdiB:
undetectable
1mt1A-3pdiB:
8.78
1mt1F-3pdiB:
12.66
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.
1MT1_B_AG2B7001_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 6 ARG B 333
LEU B 325
ASP B 329
LEU B 332
None
0.89A 1mt1B-3pdiB:
undetectable
1mt1C-3pdiB:
undetectable
1mt1B-3pdiB:
12.66
1mt1C-3pdiB:
8.78
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.
1N13_B_AG2B7011_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 5 ARG B 333
LEU B 325
ASP B 329
LEU B 332
None
0.98A 1n13B-3pdiB:
undetectable
1n13C-3pdiB:
undetectable
1n13B-3pdiB:
12.66
1n13C-3pdiB:
8.78
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.
1NP1_A_HSMA303_1
(NITROPHORIN 1)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 5 ASP A 390
GLU A 391
LEU A 385
LEU A 386
None
1.15A 1np1A-3pdiA:
undetectable
1np1A-3pdiA:
18.59
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.
1NW3_A_ACTA600_0
(HISTONE
METHYLTRANSFERASE
DOT1L)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 5 LEU A 261
TYR A 265
ARG A 242
THR A 267
None
1.32A 1nw3A-3pdiA:
2.6
1nw3A-3pdiA:
22.94
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.
1P6K_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 6 GLY A  83
VAL A  56
ALA A  63
SER A  66
None
0.95A 1p6kA-3pdiA:
undetectable
1p6kA-3pdiA:
20.85
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 8 PHE A 287
LEU A 291
ASP A 197
THR A 300
None
1.09A 1rmtD-3pdiA:
undetectable
1rmtD-3pdiA:
18.92
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)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
3 / 3 LEU B 226
LEU B  31
SER B  34
None
0.51A 1tlmA-3pdiB:
undetectable
1tlmA-3pdiB:
15.21
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.
1UKB_A_BEZA1301_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 6 LEU A 284
PHE A 287
ALA A 288
LEU A 303
None
0.87A 1ukbA-3pdiA:
2.0
1ukbA-3pdiA:
22.89
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 10 LEU A 415
LEU A 438
ILE A 398
LEU A 346
MET A 348
None
1.01A 1wopA-3pdiA:
undetectable
1wopA-3pdiA:
21.58
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.
1WSV_B_THHB4001_1
(AMINOMETHYLTRANSFERA
SE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii;
Azotobacter
vinelandii)
4 / 4 ASP A  40
GLU A 420
ARG B  54
TYR A  80
None
1.46A 1wsvB-3pdiA:
0.0
1wsvB-3pdiA:
23.25
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.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 ALA B 280
LEU B 268
ILE B 188
ILE B 192
SER B 285
None
1.24A 1xdkB-3pdiB:
undetectable
1xdkB-3pdiB:
20.92
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.
2JN3_A_JN3A131_1
(FATTY ACID-BINDING
PROTEIN, LIVER)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 12 VAL A 213
THR A 300
LEU A 296
VAL A 224
LEU A 200
None
1.22A 2jn3A-3pdiA:
undetectable
2jn3A-3pdiA:
13.42
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii;
Azotobacter
vinelandii)
4 / 6 THR A 406
ARG B 217
THR A 353
ASP A 362
None
1.28A 2okcB-3pdiA:
undetectable
2okcB-3pdiA:
21.40
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.
2Q83_A_ADNA1_1
(YTAA PROTEIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 7 ILE B  28
PRO A  30
LEU B  84
ILE B  87
None
0.85A 2q83A-3pdiB:
undetectable
2q83A-3pdiB:
21.93
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.
2Q83_B_ADNB2_1
(YTAA PROTEIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 6 ILE B  28
PRO A  30
LEU B  84
ILE B  87
None
0.76A 2q83B-3pdiB:
undetectable
2q83B-3pdiB:
21.93
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.
2QHF_A_ACTA508_0
(CHORISMATE SYNTHASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 5 LEU A 315
ARG A 312
ALA A 314
ILE A 277
None
1.07A 2qhfA-3pdiA:
undetectable
2qhfA-3pdiA:
24.37
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.
2QQC_I_AG2I671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 7 LEU B 325
ASP B 329
LEU B 332
ARG B 333
None
0.91A 2qqcG-3pdiB:
undetectable
2qqcJ-3pdiB:
undetectable
2qqcG-3pdiB:
8.78
2qqcJ-3pdiB:
12.75
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.
2QQC_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 8 ARG B 333
LEU B 325
ASP B 329
LEU B 332
None
0.89A 2qqcH-3pdiB:
undetectable
2qqcK-3pdiB:
undetectable
2qqcH-3pdiB:
12.75
2qqcK-3pdiB:
8.78
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 7 LEU B 325
ASP B 329
LEU B 332
ARG B 333
None
0.95A 2qqdA-3pdiB:
undetectable
2qqdE-3pdiB:
undetectable
2qqdA-3pdiB:
8.78
2qqdE-3pdiB:
12.75
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
3 / 3 LEU A 200
MET A 247
MET A 171
None
0.91A 2vavF-3pdiA:
undetectable
2vavF-3pdiA:
22.00
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.
2WEK_A_DIFA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
3 / 3 LEU A 162
TYR A 157
GLN B  69
None
0.72A 2wekA-3pdiA:
4.0
2wekA-3pdiA:
24.20
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.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 PRO B 345
VAL B 361
ALA A  63
ALA A  61
THR B  21
None
None
None
SF4  A 501 ( 4.3A)
None
1.10A 2x2nC-3pdiB:
undetectable
2x2nC-3pdiB:
23.68
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 8 TYR A 204
GLN A 419
ILE A 206
SER A 251
None
1.06A 2xytH-3pdiA:
undetectable
2xytH-3pdiA:
16.49
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.
2XYT_H_TC9H1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 7 TYR A 204
GLN A 419
ILE A 206
SER A 251
None
1.03A 2xytI-3pdiA:
undetectable
2xytI-3pdiA:
16.49
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.
2Y00_B_Y00B601_2
(BETA-1 ADRENERGIC
RECEPTOR)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
3 / 3 VAL A 175
ASN A 246
TRP A 269
None
0.95A 2y00B-3pdiA:
undetectable
2y00B-3pdiA:
21.31
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.
2Y6R_B_CTCB1385_0
(TETX2 PROTEIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 8 GLN A 419
PHE A 423
GLY A 424
GLY A 400
None
0.93A 2y6rB-3pdiA:
undetectable
2y6rB-3pdiA:
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.
3BJW_E_SVRE510_2
(PHOSPHOLIPASE A2)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 6 VAL B 158
GLY B 225
ARG B  33
LEU B 221
None
1.02A 3bjwE-3pdiB:
undetectable
3bjwE-3pdiB:
11.34
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.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
3 / 3 GLY B  30
GLY B 207
GLY B 225
None
0.43A 3bogC-3pdiB:
undetectable
3bogC-3pdiB:
12.91
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 LEU B 175
LEU B 241
PRO B 159
THR B 258
VAL B 260
None
1.14A 3cwkA-3pdiB:
undetectable
3cwkA-3pdiB:
12.01
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.
3NDW_A_RITA100_2
(PROTEASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 9 ASP A 131
ALA A  98
ASP A  92
ILE A  94
ILE A 129
None
1.11A 3ndwB-3pdiA:
undetectable
3ndwB-3pdiA:
11.45
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.
3OXX_A_DR7A100_2
(HIV-1 PROTEASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 11 ASP A 131
ALA A  98
ASP A  92
ILE A  94
ILE A 129
None
1.13A 3oxxB-3pdiA:
undetectable
3oxxB-3pdiA:
11.45
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 6 TYR A 204
GLN A 419
ILE A 206
SER A 251
None
1.18A 3peoG-3pdiA:
undetectable
3peoG-3pdiA:
17.81
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.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 7 PHE B 142
PHE B  51
ALA B  48
LEU B  29
None
1.00A 3t3sC-3pdiB:
undetectable
3t3sC-3pdiB:
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.
3TBG_C_RTZC1_1
(CYTOCHROME P450 2D6)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 LEU B 185
GLY B  30
LEU B  29
ASP B 210
PHE B  52
None
1.29A 3tbgC-3pdiB:
undetectable
3tbgC-3pdiB:
23.19
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.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 11 LEU B 247
LEU B 175
SER B 237
LEU B 180
ILE B 153
None
1.18A 4dm8A-3pdiB:
undetectable
4dm8A-3pdiB:
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 12 GLU A 203
GLU A 209
GLY A 230
VAL A 339
TYR A 275
None
1.45A 4ffwB-3pdiA:
3.2
4ffwB-3pdiA:
21.43
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.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 8 VAL A 237
PRO A  48
ILE A 201
MET A 171
None
1.06A 4iilA-3pdiA:
4.6
4iilA-3pdiA:
22.81
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.
4LNX_A_T44A501_1
(THYROID HORMONE
RECEPTOR ALPHA)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 6 GLU B 230
GLN B 171
VAL B 260
THR B 258
None
1.37A 4lnxA-3pdiB:
undetectable
4lnxA-3pdiB:
21.57
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.
4M93_B_ACTB303_0
(S25-26 FAB (IGG1K)
HEAVY CHAIN
S25-26 FAB (IGG1K)
LIGHT CHAIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 5 GLY B  40
SER B  41
ALA B  66
PHE B  38
None
SF4  A 501 ( 4.6A)
None
None
0.85A 4m93B-3pdiB:
undetectable
4m93C-3pdiB:
undetectable
4m93B-3pdiB:
20.44
4m93C-3pdiB:
19.91
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.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 8 ILE B 380
HIS B  55
PHE B 328
THR B 181
None
0.90A 4n16A-3pdiB:
undetectable
4n16A-3pdiB:
19.13
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.
4ODO_B_FK5B203_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
3 / 3 ALA B  18
GLN B 403
GLY B 409
None
0.46A 4odoC-3pdiB:
undetectable
4odoC-3pdiB:
16.16
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.
4P65_C_IPHC101_0
(INSULIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 11 LEU B 332
ALA B 314
LEU B 431
VAL B 423
LEU B 424
None
0.91A 4p65C-3pdiB:
undetectable
4p65D-3pdiB:
undetectable
4p65J-3pdiB:
undetectable
4p65L-3pdiB:
undetectable
4p65C-3pdiB:
7.61
4p65D-3pdiB:
6.50
4p65J-3pdiB:
6.50
4p65L-3pdiB:
6.50
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.
4P65_G_IPHG101_0
(INSULIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 11 LEU B 431
VAL B 423
LEU B 424
LEU B 332
ALA B 314
None
1.01A 4p65B-3pdiB:
undetectable
4p65D-3pdiB:
undetectable
4p65G-3pdiB:
undetectable
4p65H-3pdiB:
undetectable
4p65B-3pdiB:
6.50
4p65D-3pdiB:
6.50
4p65G-3pdiB:
7.61
4p65H-3pdiB:
6.50
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.
4P65_I_IPHI101_0
(INSULIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 VAL B 423
LEU B 424
LEU B 431
LEU B 332
ALA B 314
None
0.97A 4p65B-3pdiB:
undetectable
4p65D-3pdiB:
undetectable
4p65I-3pdiB:
undetectable
4p65J-3pdiB:
undetectable
4p65B-3pdiB:
6.50
4p65D-3pdiB:
6.50
4p65I-3pdiB:
7.61
4p65J-3pdiB:
6.50
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.
4P65_K_IPHK101_0
(INSULIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 LEU B 431
VAL B 423
LEU B 424
LEU B 332
ALA B 314
None
0.99A 4p65F-3pdiB:
undetectable
4p65H-3pdiB:
undetectable
4p65K-3pdiB:
undetectable
4p65L-3pdiB:
undetectable
4p65F-3pdiB:
6.50
4p65H-3pdiB:
6.50
4p65K-3pdiB:
7.61
4p65L-3pdiB:
6.50
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.
4P6X_I_HCYI900_1
(GLUCOCORTICOID
RECEPTOR)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 12 LEU A 434
GLY A 276
LEU A 346
MET A 348
ILE A 417
None
1.31A 4p6xI-3pdiA:
undetectable
4p6xI-3pdiA:
20.90
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 7 GLU B 368
GLU B 365
TYR A 113
LEU A  79
None
1.02A 4twdF-3pdiB:
undetectable
4twdJ-3pdiB:
undetectable
4twdF-3pdiB:
22.03
4twdJ-3pdiB:
22.03
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.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 6 ILE A 417
VAL A 327
PHE A 414
THR A 441
None
0.92A 4xe5A-3pdiA:
undetectable
4xe5A-3pdiA:
20.64
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.
4Y0Q_A_PX9A201_0
(BETA-LACTOGLOBULIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 12 ILE A 398
LEU A 415
GLU A 433
VAL A 350
MET A 348
None
1.11A 4y0qA-3pdiA:
undetectable
4y0qA-3pdiA:
17.57
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.
4Y28_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 9 ARG B 264
ALA B 248
LEU B 247
GLY B 244
PHE B  38
None
1.49A 4y28A-3pdiB:
undetectable
4y28J-3pdiB:
undetectable
4y28A-3pdiB:
21.19
4y28J-3pdiB:
8.24
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.
5A06_D_SORD1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 5 ALA A 207
HIS A 212
ALA A 426
GLU A 433
None
1.37A 5a06C-3pdiA:
4.6
5a06D-3pdiA:
undetectable
5a06C-3pdiA:
21.26
5a06D-3pdiA:
21.26
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.
5ESG_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 4 LEU A 172
TYR A 157
PRO A 150
ILE A 149
None
1.18A 5esgA-3pdiA:
undetectable
5esgA-3pdiA:
20.90
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.
5G48_B_1FLB1375_1
(DNA POLYMERASE III
SUBUNIT BETA)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 9 LEU B 213
THR B 223
THR B 222
PRO B  36
LEU B  29
None
1.31A 5g48B-3pdiB:
undetectable
5g48B-3pdiB:
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.
5GWK_F_EVPF102_1
(DNA TOPOISOMERASE
2-ALPHA)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
4 / 5 GLY A 230
ASP A 231
ARG A 233
MET A  84
None
1.14A 5gwkA-3pdiA:
undetectable
5gwkA-3pdiA:
20.15
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.
5H5F_A_SAMA301_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 5 GLY B  40
PRO B  36
THR B  64
THR B 101
None
1.01A 5h5fA-3pdiB:
undetectable
5h5fA-3pdiB:
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.
5K50_C_ACTC1403_0
(L-THREONINE
3-DEHYDROGENASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 4 MET B  35
SER B  34
VAL B  95
GLY B  97
None
1.31A 5k50C-3pdiB:
1.5
5k50C-3pdiB:
20.96
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.
5KKL_B_SAMB8009_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN,HISTONE H3.1
PEPTIDE,ZINC FINGER
DOMAIN-CONTAINING
PROTEIN)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 LEU B 180
GLY B 183
TYR B 269
PHE B 328
LEU B 324
None
1.42A 5kklB-3pdiB:
undetectable
5kklB-3pdiB:
19.43
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.
5LF7_B_6V8B304_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 THR B  45
THR B  21
THR B 135
ALA B  24
GLY B  40
None
1.19A 5lf7V-3pdiB:
undetectable
5lf7b-3pdiB:
undetectable
5lf7V-3pdiB:
22.01
5lf7b-3pdiB:
18.78
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.
5VIM_A_SAMA301_1
(METHYLTRANSFERASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii;
Azotobacter
vinelandii)
4 / 4 SER A  65
THR A 123
ASP A 131
ASP B 137
None
SF4  A 501 (-4.0A)
None
None
1.28A 5vimA-3pdiA:
undetectable
5vimA-3pdiA:
19.64
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.
5VIM_B_SAMB301_1
(METHYLTRANSFERASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii;
Azotobacter
vinelandii)
4 / 4 SER A  65
THR A 123
ASP A 131
ASP B 137
None
SF4  A 501 (-4.0A)
None
None
1.24A 5vimB-3pdiA:
undetectable
5vimB-3pdiA:
19.64
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 12 VAL A 339
ASN A 403
LEU A 397
LEU A 438
LEU A 343
None
1.09A 5x23A-3pdiA:
undetectable
5x23A-3pdiA:
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.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii)
5 / 12 ASP A 131
ALA A  98
ASP A  92
ILE A  94
ILE A 129
None
1.16A 6difA-3pdiA:
undetectable
6difA-3pdiA:
10.96
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.
6EKU_A_ZMRA901_2
(SIALIDASE)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
4 / 6 ASP B 184
LEU B 247
SER B 246
PHE B 146
None
1.14A 6ekuA-3pdiB:
undetectable
6ekuA-3pdiB:
21.22
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.
6HWD_B_BO2B201_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-2)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 THR B  45
THR B  21
THR B 135
ALA B  24
GLY B  40
None
1.23A 6hwdV-3pdiB:
undetectable
6hwdb-3pdiB:
undetectable
6hwdV-3pdiB:
13.21
6hwdb-3pdiB:
13.05
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.
6HWD_N_BO2N201_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-2)
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii)
5 / 12 THR B  45
THR B  21
THR B 135
ALA B  24
GLY B  40
None
1.23A 6hwdH-3pdiB:
undetectable
6hwdN-3pdiB:
undetectable
6hwdH-3pdiB:
13.21
6hwdN-3pdiB:
13.05