SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wn9'

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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 6 GLU A 204
ILE A 210
TYR A 208
GLY A 233
None
1.17A 1maaB-4wn9A:
undetectable
1maaD-4wn9A:
undetectable
1maaB-4wn9A:
22.46
1maaD-4wn9A:
22.46
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.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 ILE A 287
GLY A 288
PHE A 499
ASN A 498
None
None
XE  A 604 (-3.8A)
None
0.98A 1oniG-4wn9A:
undetectable
1oniI-4wn9A:
undetectable
1oniG-4wn9A:
13.89
1oniI-4wn9A:
13.89
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.
1UPF_A_URFA999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 5 MET A 272
ALA A 270
TYR A 268
ILE A 269
None
1.15A 1upfA-4wn9A:
undetectable
1upfA-4wn9A:
17.93
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.
1UPF_C_URFC999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 5 MET A 272
ALA A 270
TYR A 268
ILE A 269
None
1.11A 1upfC-4wn9A:
undetectable
1upfC-4wn9A:
17.93
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.
1UPF_D_URFD999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 4 MET A 272
ALA A 270
TYR A 268
ILE A 269
None
1.05A 1upfD-4wn9A:
undetectable
1upfD-4wn9A:
17.93
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.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 8 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.64A 1v54C-4wn9A:
undetectable
1v54J-4wn9A:
undetectable
1v54C-4wn9A:
17.15
1v54J-4wn9A:
8.88
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.
1V55_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.81A 1v55C-4wn9A:
undetectable
1v55J-4wn9A:
undetectable
1v55C-4wn9A:
17.15
1v55J-4wn9A:
8.88
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.
1V55_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.68A 1v55C-4wn9A:
undetectable
1v55J-4wn9A:
undetectable
1v55C-4wn9A:
17.15
1v55J-4wn9A:
8.88
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.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 8 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.64A 2dyrC-4wn9A:
undetectable
2dyrJ-4wn9A:
undetectable
2dyrC-4wn9A:
17.15
2dyrJ-4wn9A:
8.88
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.
2DYR_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 8 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.80A 2dyrP-4wn9A:
undetectable
2dyrW-4wn9A:
undetectable
2dyrP-4wn9A:
17.15
2dyrW-4wn9A:
8.88
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.
2DYR_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 8 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.65A 2dyrP-4wn9A:
undetectable
2dyrW-4wn9A:
undetectable
2dyrP-4wn9A:
17.15
2dyrW-4wn9A:
8.88
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.
2EIJ_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.78A 2eijC-4wn9A:
undetectable
2eijJ-4wn9A:
undetectable
2eijC-4wn9A:
17.15
2eijJ-4wn9A:
8.88
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.
2EIJ_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.67A 2eijC-4wn9A:
undetectable
2eijJ-4wn9A:
undetectable
2eijC-4wn9A:
17.15
2eijJ-4wn9A:
8.88
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.
2EIK_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.76A 2eikC-4wn9A:
undetectable
2eikJ-4wn9A:
undetectable
2eikC-4wn9A:
17.15
2eikJ-4wn9A:
8.88
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.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 8 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.79A 2eilC-4wn9A:
undetectable
2eilJ-4wn9A:
undetectable
2eilC-4wn9A:
17.15
2eilJ-4wn9A:
8.88
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.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 8 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.66A 2eilC-4wn9A:
undetectable
2eilJ-4wn9A:
undetectable
2eilC-4wn9A:
17.15
2eilJ-4wn9A:
8.88
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.
2EIM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.79A 2eimC-4wn9A:
undetectable
2eimJ-4wn9A:
undetectable
2eimC-4wn9A:
17.15
2eimJ-4wn9A:
8.88
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.
2EIM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.66A 2eimC-4wn9A:
undetectable
2eimJ-4wn9A:
undetectable
2eimC-4wn9A:
17.15
2eimJ-4wn9A:
8.88
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.
2EIN_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.63A 2einC-4wn9A:
undetectable
2einJ-4wn9A:
undetectable
2einC-4wn9A:
17.15
2einJ-4wn9A:
8.88
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.
2W98_B_P1ZB1359_1
(PROSTAGLANDIN
REDUCTASE 2)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 6 THR A 275
GLU A 271
MET A 194
ILE A 396
None
1.22A 2w98B-4wn9A:
undetectable
2w98B-4wn9A:
21.41
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.
2ZXW_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 6 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.77A 2zxwP-4wn9A:
undetectable
2zxwW-4wn9A:
undetectable
2zxwP-4wn9A:
17.15
2zxwW-4wn9A:
8.88
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 6 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.81A 3ag1C-4wn9A:
undetectable
3ag1J-4wn9A:
undetectable
3ag1C-4wn9A:
17.15
3ag1J-4wn9A:
8.88
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.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 8 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.79A 3ag4C-4wn9A:
undetectable
3ag4J-4wn9A:
undetectable
3ag4C-4wn9A:
17.15
3ag4J-4wn9A:
8.88
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.
3AG4_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.73A 3ag4P-4wn9A:
undetectable
3ag4W-4wn9A:
undetectable
3ag4P-4wn9A:
17.15
3ag4W-4wn9A:
8.88
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.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.84A 3asnC-4wn9A:
undetectable
3asnJ-4wn9A:
undetectable
3asnC-4wn9A:
17.15
3asnJ-4wn9A:
8.88
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.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.65A 3asnP-4wn9A:
undetectable
3asnW-4wn9A:
undetectable
3asnP-4wn9A:
17.15
3asnW-4wn9A:
8.88
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.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.63A 3asoP-4wn9A:
undetectable
3asoW-4wn9A:
undetectable
3asoP-4wn9A:
17.15
3asoW-4wn9A:
8.88
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.
3BJ8_C_SPMC500_1
(DIAMINE
ACETYLTRANSFERASE 1)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 6 ASP A 459
LEU A 456
ASP A 361
HIS A 435
None
1.07A 3bj8C-4wn9A:
undetectable
3bj8D-4wn9A:
undetectable
3bj8C-4wn9A:
16.28
3bj8D-4wn9A:
16.28
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.
3D9L_A_ACTA501_0
(CTD-PEPTIDE
RNA-BINDING PROTEIN
16)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 5 PRO A 168
ILE A 139
PRO A 136
TYR A 131
None
1.39A 3d9lA-4wn9A:
undetectable
3d9lY-4wn9A:
undetectable
3d9lA-4wn9A:
13.00
3d9lY-4wn9A:
2.84
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.
3HEC_A_STIA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 4 LEU A   5
MET A 434
ILE A 471
ASP A 459
None
1.06A 3hecA-4wn9A:
undetectable
3hecA-4wn9A:
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.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
5 / 12 ILE A 266
ALA A 270
ILE A 279
ALA A 255
GLY A 199
None
0.82A 3nxuA-4wn9A:
undetectable
3nxuA-4wn9A:
22.93
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.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
5 / 12 GLY A 220
PHE A  89
SER A  91
GLU A 224
ALA A 222
None
1.27A 3t7sA-4wn9A:
undetectable
3t7sA-4wn9A:
20.65
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
5 / 12 GLY A 220
PHE A  89
SER A  91
GLU A 224
ALA A 222
None
1.29A 3t7sB-4wn9A:
undetectable
3t7sB-4wn9A:
20.65
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
5 / 12 GLY A 220
PHE A  89
SER A  91
GLU A 224
ALA A 222
None
1.26A 3t7sD-4wn9A:
undetectable
3t7sD-4wn9A:
20.65
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.
4A6E_A_SAMA1349_1
(HYDROXYINDOLE
O-METHYLTRANSFERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
3 / 3 TYR A 342
ASP A 442
ASP A 374
None
0.70A 4a6eA-4wn9A:
undetectable
4a6eA-4wn9A:
19.74
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.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 GLU A 314
GLU A 313
GLY A 233
ARG A 311
None
0.94A 4fgzA-4wn9A:
undetectable
4fgzA-4wn9A:
19.15
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
5 / 12 ARG A 297
ALA A 317
ILE A 320
ILE A 232
GLY A 492
None
1.01A 4r3aB-4wn9A:
undetectable
4r3aB-4wn9A:
19.15
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
5 / 11 PHE A 369
VAL A  62
GLY A 345
SER A 183
GLY A  57
ICS  A 602 (-4.2A)
None
ICS  A 602 (-3.7A)
None
None
1.29A 4xp4A-4wn9A:
undetectable
4xp4A-4wn9A:
20.88
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.
4XPB_A_COCA702_1
(TRANSPORTER)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
5 / 10 PHE A 369
VAL A  62
GLY A 345
SER A 183
GLY A  57
ICS  A 602 (-4.2A)
None
ICS  A 602 (-3.7A)
None
None
1.39A 4xpbA-4wn9A:
undetectable
4xpbA-4wn9A:
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.
5B1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.72A 5b1bP-4wn9A:
undetectable
5b1bW-4wn9A:
undetectable
5b1bP-4wn9A:
17.15
5b1bW-4wn9A:
8.88
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.
5BW4_B_SAMB301_1
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
3 / 3 ASP A 125
GLU A 164
SER A 113
None
0.69A 5bw4B-4wn9A:
undetectable
5bw4B-4wn9A:
20.04
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_X_BEZX801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 5 ARG A  21
ILE A  25
GLY A 366
LEU A 440
None
0.77A 5dzki-4wn9A:
undetectable
5dzkj-4wn9A:
undetectable
5dzkx-4wn9A:
undetectable
5dzki-4wn9A:
19.03
5dzkj-4wn9A:
19.03
5dzkx-4wn9A:
33.33
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.
5ECM_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 5 ALA A 143
THR A 144
TYR A  55
HIS A  74
None
CLF  A 605 ( 4.6A)
CLF  A 605 (-4.9A)
None
1.23A 5ecmA-4wn9A:
undetectable
5ecmA-4wn9A:
23.70
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.
5JDC_D_6JPD302_1
(PTERIDINE REDUCTASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
5 / 11 HIS A 170
SER A  91
ASP A  68
VAL A 249
LEU A 240
None
1.37A 5jdcA-4wn9A:
2.8
5jdcD-4wn9A:
1.9
5jdcA-4wn9A:
18.41
5jdcD-4wn9A:
18.41
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.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 6 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.61A 5w97C-4wn9A:
undetectable
5w97J-4wn9A:
undetectable
5w97C-4wn9A:
17.15
5w97J-4wn9A:
8.88
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_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LYS A 331
LEU A 334
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.59A 5x1fP-4wn9A:
undetectable
5x1fW-4wn9A:
undetectable
5x1fP-4wn9A:
17.15
5x1fW-4wn9A:
8.88
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.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 7 LEU A 334
GLN A 335
LEU A 503
PHE A 499
None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
0.77A 5zcqC-4wn9A:
undetectable
5zcqJ-4wn9A:
undetectable
5zcqC-4wn9A:
17.15
5zcqJ-4wn9A:
8.88
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.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 6 GLY A 119
ASP A 125
GLY A  75
PRO A  76
None
None
None
CLF  A 605 (-3.8A)
0.73A 6ag0C-4wn9A:
undetectable
6ag0C-4wn9A:
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.
6B89_A_NOVA403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 6 PHE A 462
ARG A 347
LEU A 341
ALA A 339
None
ICS  A 602 (-3.9A)
None
None
0.93A 6b89B-4wn9A:
undetectable
6b89B-4wn9A:
9.88
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.
6GQI_A_ACTA604_0
(CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE)
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum)
4 / 6 PRO A  65
ILE A 218
GLY A 242
GLU A 215
None
ICS  A 602 ( 4.9A)
None
None
1.14A 6gqiA-4wn9A:
2.2
6gqiA-4wn9A:
21.68