SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ayx'

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.
1A7Y_A_DVAA8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.74A 1a7yA-3ayxA:
undetectable		 1a7yA-3ayxA:
1.96
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.
1A7Y_B_DVAB8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.83A 1a7yB-3ayxA:
undetectable		 1a7yB-3ayxA:
1.96
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.
1D4F_C_ADNC603_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 GLU B  28
THR B  24
HIS B  19
LEU B  54
 None
 1.25A 1d4fC-3ayxB:
4.1		 1d4fC-3ayxB:
22.86
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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 8 GLY B  20
GLY B  83
HIS A  83
VAL A  78
 None
None
CMO  A 603 (-4.0A)
O  A 609 ( 4.7A)
 0.93A 1dbbH-3ayxB:
undetectable
1dbbL-3ayxB:
undetectable		 1dbbH-3ayxB:
18.56
1dbbL-3ayxB:
20.82
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_PFLA4002_1
(SERUM ALBUMIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 PHE A 458
LEU A 413
SER A 461
 None
 0.82A 1e7aA-3ayxA:
1.9		 1e7aA-3ayxA:
19.70
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 CYH A  79
VAL A  78
HIS A  83
CYH A 593
 O  A 609 (-1.8A)
O  A 609 ( 4.7A)
CMO  A 603 (-4.0A)
FE2  A 601 (-2.2A)
 1.38A 1ekjG-3ayxA:
undetectable
1ekjH-3ayxA:
undetectable		 1ekjG-3ayxA:
16.69
1ekjH-3ayxA:
16.69
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 CYH A 240
SER B 254
ASN A 255
SER B 249
ALA A 222
 None
 1.36A 1hwkB-3ayxA:
undetectable		 1hwkB-3ayxA:
21.87
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 CYH A 240
SER B 254
ASN A 255
SER B 249
ALA A 222
 None
 1.35A 1hwkA-3ayxA:
undetectable		 1hwkA-3ayxA:
21.87
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 CYH A 240
SER B 254
ASN A 255
SER B 249
ALA A 222
 None
 1.34A 1hwkD-3ayxA:
undetectable		 1hwkD-3ayxA:
21.87
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 CYH A 240
SER B 254
ASN A 255
SER B 249
ALA A 222
 None
 1.34A 1hwkC-3ayxA:
undetectable		 1hwkC-3ayxA:
21.87
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.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.73A 1i3wE-3ayxA:
undetectable		 1i3wE-3ayxA:
1.96
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.
1I3W_E_DVAE8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.78A 1i3wE-3ayxA:
undetectable		 1i3wE-3ayxA:
1.96
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.
1I3W_F_DVAF8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.73A 1i3wF-3ayxA:
undetectable		 1i3wF-3ayxA:
1.96
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.
1I3W_G_DVAG2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.78A 1i3wG-3ayxA:
undetectable		 1i3wG-3ayxA:
1.96
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.
1I3W_G_DVAG8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.81A 1i3wG-3ayxA:
undetectable		 1i3wG-3ayxA:
1.96
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.
1I3W_H_DVAH8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.81A 1i3wH-3ayxA:
undetectable		 1i3wH-3ayxA:
1.96
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 VAL A  37
ASP A  38
LEU A 584
THR A 583
PRO A 570
 None
 1.46A 1ia0B-3ayxA:
undetectable		 1ia0B-3ayxA:
20.26
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.
1JLB_A_NVPA999_1
(HIV-1 RT A-CHAIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 8 LEU A 211
VAL B  42
LEU B  54
TYR A 207
 None
 0.85A 1jlbA-3ayxA:
2.7		 1jlbA-3ayxA:
22.17
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.
1KB9_A_PCFA514_0
(CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		4 / 8 HIS A  30
ILE B  96
PHE B 101
VAL B 140
 None
 1.16A 1kb9A-3ayxA:
undetectable
1kb9C-3ayxA:
2.3
1kb9D-3ayxA:
undetectable
1kb9E-3ayxA:
undetectable		 1kb9A-3ayxA:
20.83
1kb9C-3ayxA:
19.45
1kb9D-3ayxA:
18.39
1kb9E-3ayxA:
15.93
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.
1MNV_D_DVAD2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.75A 1mnvD-3ayxA:
undetectable		 1mnvD-3ayxA:
1.96
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.
1MNV_D_DVAD8_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.73A 1mnvD-3ayxA:
undetectable		 1mnvD-3ayxA:
1.96
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.
1MOG_A_RBFA200_1
(DODECIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 PHE B  30
TRP B  17
GLU B  82
 None
None
F4S  B 301 ( 4.8A)
 1.16A 1mogA-3ayxB:
undetectable		 1mogA-3ayxB:
14.34
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.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 LEU A 471
VAL A 278
HIS A 432
LEU A 455
LEU A 459
 None
 1.31A 1mrqA-3ayxA:
undetectable		 1mrqA-3ayxA:
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.
1NT5_A_DVAA6_0
(GRAMICIDIN A)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 ALA A  94
VAL A 516
TRP A 365
 None
 0.88A 1nt5A-3ayxA:
undetectable		 1nt5A-3ayxA:
4.05
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.
1NT5_B_DVAB6_0
(GRAMICIDIN A)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 ALA A  94
VAL A 516
TRP A 365
 None
 0.88A 1nt5B-3ayxA:
undetectable		 1nt5B-3ayxA:
4.05
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.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.75A 1ovfB-3ayxA:
undetectable		 1ovfB-3ayxA:
1.96
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.
1P9G_A_ACTA42_0
(EAFP 2)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 CYH A  79
ARG A 523
CYH A  76
 O  A 609 (-1.8A)
O  A 606 (-3.6A)
O  A 609 (-1.5A)
 1.41A 1p9gA-3ayxA:
undetectable		 1p9gA-3ayxA:
4.53
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.
1Q97_B_ADNB486_1
(SR PROTEIN KINASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 4 VAL A 152
ALA A 283
LEU A 195
PHE A 287
 None
 0.89A 1q97B-3ayxA:
undetectable		 1q97B-3ayxA:
20.67
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.
1QFI_A_DVAA8_0
(ACTINOMYCIN X2)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.72A 1qfiA-3ayxA:
undetectable		 1qfiA-3ayxA:
1.96
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.
1QFI_B_DVAB8_0
(ACTINOMYCIN X2)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.85A 1qfiB-3ayxA:
undetectable		 1qfiB-3ayxA:
1.96
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.
1S1U_A_NVPA999_1
(REVERSE
TRANSCRIPTASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 10 ILE B 259
LYS B 269
TYR B 273
GLY B 270
TRP A  69
 F3S  B 308 (-4.4A)
None
None
None
None
 1.40A 1s1uA-3ayxB:
undetectable		 1s1uA-3ayxB:
17.05
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.
1TKQ_A_DVAA6_0
(MINI-GRAMICIDIN A)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 ALA A  90
VAL A  88
TRP A  69
 None
 1.01A 1tkqA-3ayxA:
undetectable		 1tkqA-3ayxA:
2.73
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.
1TKQ_B_DVAB6_0
(GRAMICIDIN A)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 ALA A 499
VAL A 235
TRP A  69
 None
 0.93A 1tkqB-3ayxA:
undetectable		 1tkqB-3ayxA:
3.24
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.
1TUB_B_TXLB501_1
(TUBULIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 VAL A  37
ASP A  38
LEU A 584
THR A 583
PRO A 570
 None
 1.46A 1tubB-3ayxA:
undetectable		 1tubB-3ayxA:
20.73
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.80A 1unjF-3ayxA:
undetectable		 1unjF-3ayxA:
1.96
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.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.74A 1unjF-3ayxA:
undetectable		 1unjF-3ayxA:
1.96
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.
1UNJ_L_DVAL2_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.86A 1unjL-3ayxA:
undetectable		 1unjL-3ayxA:
1.96
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.
1UNJ_L_DVAL8_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.83A 1unjL-3ayxA:
undetectable		 1unjL-3ayxA:
1.96
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.
1UNJ_R_DVAR2_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.86A 1unjR-3ayxA:
undetectable		 1unjR-3ayxA:
1.96
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.
1UNJ_R_DVAR8_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.81A 1unjR-3ayxA:
undetectable		 1unjR-3ayxA:
1.96
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.
1UNJ_X_DVAX2_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.86A 1unjX-3ayxA:
undetectable		 1unjX-3ayxA:
1.96
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.
1UNJ_X_DVAX8_0
(7-AMINO-ACTINOMYCIN
D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.83A 1unjX-3ayxA:
undetectable		 1unjX-3ayxA:
1.96
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.
1UNM_F_DVAF2_0
(7-AMINOACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.85A 1unmF-3ayxA:
undetectable		 1unmF-3ayxA:
1.96
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.
1UNM_F_DVAF8_0
(7-AMINOACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 546
THR A 547
PRO A 545
 CYN  A 605 (-3.7A)
None
CYN  A 605 ( 3.6A)
 0.85A 1unmF-3ayxA:
undetectable		 1unmF-3ayxA:
1.96
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.
1YNN_C_RFPC1120_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 ARG A 402
SER A 594
LEU A 591
PRO A 552
ILE A 398
 None
 1.47A 1ynnC-3ayxA:
0.4		 1ynnC-3ayxA:
20.46
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.
1Z95_A_198A501_2
(ANDROGEN RECEPTOR)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 ASN A 439
LEU A 467
LEU A 455
ILE A 463
 None
 1.02A 1z95A-3ayxA:
undetectable		 1z95A-3ayxA:
18.33
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.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 5 ILE B 153
ILE B  16
ILE B 169
MET B 172
LEU B 144
 None
 1.40A 1zgyA-3ayxB:
undetectable		 1zgyA-3ayxB:
20.94
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.
2A3C_A_PNXA1435_1
(CHITINASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 TRP A  69
TYR B 273
GLY A 225
SER B 254
 None
 1.37A 2a3cA-3ayxA:
undetectable		 2a3cA-3ayxA:
22.41
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.
2A3C_A_PNXA1435_1
(CHITINASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 TRP A  69
TYR B 273
GLY A 226
SER B 254
 None
 1.32A 2a3cA-3ayxA:
undetectable		 2a3cA-3ayxA:
22.41
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.
2A3C_B_PNXB2434_1
(CHITINASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 TRP A  69
TYR B 273
GLY A 225
SER B 254
 None
 1.39A 2a3cB-3ayxA:
undetectable		 2a3cB-3ayxA:
22.41
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.
2A3C_B_PNXB2434_1
(CHITINASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 TRP A  69
TYR B 273
GLY A 226
SER B 254
 None
 1.29A 2a3cB-3ayxA:
undetectable		 2a3cB-3ayxA:
22.41
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 ILE A 368
HIS A 596
GLY A 367
GLU A 346
LYS A 399
 None
MG  A 701 (-3.3A)
None
MG  A 701 ( 3.9A)
MG  A 701 ( 4.2A)
 1.29A 2fn1B-3ayxA:
undetectable		 2fn1B-3ayxA:
22.79
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.
2HS1_B_017B203_1
(HIV-1 PROTEASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 7 GLU B 212
TRP B 214
PRO A 239
GLY B 218
 None
 0.91A 2hs1B-3ayxB:
undetectable		 2hs1B-3ayxB:
17.78
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.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 ALA B  56
TRP A 188
LEU A 180
ALA B  57
 None
 1.17A 2jstA-3ayxB:
undetectable
2jstB-3ayxB:
undetectable		 2jstA-3ayxB:
16.67
2jstB-3ayxB:
16.67
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 HIS A 125
ILE A 182
LEU B  43
 None
 0.70A 2kceA-3ayxA:
undetectable		 2kceA-3ayxA:
17.85
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.
2OTH_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 ASP B 149
TYR B 148
LYS B 106
 None
 0.95A 2othA-3ayxB:
undetectable		 2othA-3ayxB:
17.79
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.
2OXT_C_SAMC300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		4 / 4 SER A  48
GLY A 550
HIS A  30
ASP B  51
 None
 1.32A 2oxtC-3ayxA:
undetectable		 2oxtC-3ayxA:
18.64
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 ILE A 452
ALA A 286
PHE A 438
LEU A 292
ASP A 290
 None
 1.16A 2qjuA-3ayxA:
undetectable		 2qjuA-3ayxA:
21.42
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.
3DAT_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 ALA A 128
ILE A 171
ARG A 170
LEU B  43
PHE A 183
 None
 1.14A 3datA-3ayxA:
undetectable		 3datA-3ayxA:
14.42
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.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 ASP A  93
ARG A 339
VAL A 519
LYS A  98
ILE A  99
 None
 1.30A 3o5rA-3ayxA:
undetectable		 3o5rA-3ayxA:
13.30
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.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 TYR A 308
ASP A 483
ASP A 478
 None
 0.98A 3ou7B-3ayxA:
undetectable		 3ou7B-3ayxA:
15.47
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 8 LEU A 320
GLN A 115
TYR A 308
TYR A 416
 None
 1.34A 3po7A-3ayxA:
undetectable		 3po7A-3ayxA:
22.87
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.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 10 ARG B  32
ASN A 228
HIS A 221
GLY A 225
GLY A  77
 None
 1.27A 3pp7B-3ayxB:
undetectable		 3pp7B-3ayxB:
18.40
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 7 HIS A 117
GLU A  73
GLU B  28
PRO B 159
 None
None
None
F4S  B 301 ( 4.8A)
 1.20A 3ql6A-3ayxA:
undetectable		 3ql6A-3ayxA:
23.51
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.
3QXV_D_MTXD2000_2
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 LEU A 265
ARG B 243
ASN A 255
 None
 0.77A 3qxvD-3ayxA:
undetectable		 3qxvD-3ayxA:
12.46
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.
3R9T_C_BEZC264_0
(ECHA1_1)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 ALA B 122
GLU B  82
ALA B  80
MET B 165
 None
F4S  B 301 ( 4.8A)
None
None
 1.45A 3r9tC-3ayxB:
undetectable		 3r9tC-3ayxB:
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 LEU A 114
THR A 546
THR A 547
ILE A 398
ILE A  75
 None
CYN  A 605 (-3.7A)
None
None
None
 1.18A 3sp9A-3ayxA:
undetectable		 3sp9A-3ayxA:
17.70
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 LEU A 114
THR A 546
THR A 547
ILE A 398
VAL A  78
 None
CYN  A 605 (-3.7A)
None
None
O  A 609 ( 4.7A)
 1.23A 3sp9A-3ayxA:
undetectable		 3sp9A-3ayxA:
17.70
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 ASP A 451
ARG A 437
PHE A 458
ALA A 470
ALA A 283
 None
 1.35A 3ua1A-3ayxA:
undetectable		 3ua1A-3ayxA:
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.
3VM4_A_IZPA1_1
(FATTY ACID
ALPHA-HYDROXYLASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 LEU A 320
ARG A 415
PRO A 412
ALA A 414
 None
 1.41A 3vm4A-3ayxA:
undetectable		 3vm4A-3ayxA:
19.67
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.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 LEU A 459
GLY A 464
ILE A 282
VAL A 281
 None
 0.87A 3wriA-3ayxA:
undetectable		 3wriA-3ayxA:
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.
3WRI_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 LEU A 459
GLY A 464
ILE A 282
VAL A 281
 None
 0.87A 3wriB-3ayxA:
undetectable		 3wriB-3ayxA:
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.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 7 TYR A 124
ASP A 280
ARG A 437
HIS A 206
 None
 1.15A 3zodA-3ayxA:
undetectable		 3zodA-3ayxA:
15.46
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.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 7 LEU A 211
VAL B  42
LEU B  54
TYR A 207
 None
 0.97A 4b3qA-3ayxA:
undetectable		 4b3qA-3ayxA:
22.15
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.
4EAH_A_ACTA1002_0
(ACTIN, ALPHA
SKELETAL MUSCLE
FORMIN-LIKE PROTEIN
3)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 ARG A 437
THR A 274
GLN A 430
GLU A 474
 None
 1.50A 4eahA-3ayxA:
0.0
4eahE-3ayxA:
0.0
4eahG-3ayxA:
0.0		 4eahA-3ayxA:
20.92
4eahE-3ayxA:
20.92
4eahG-3ayxA:
20.30
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.
4EAH_E_ACTE1001_0
(ACTIN, ALPHA
SKELETAL MUSCLE
FORMIN-LIKE PROTEIN
3)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 4 THR A 274
GLN A 430
GLU A 474
ARG A 437
 None
 1.47A 4eahA-3ayxA:
0.5
4eahD-3ayxA:
0.0
4eahE-3ayxA:
1.4		 4eahA-3ayxA:
20.92
4eahD-3ayxA:
20.30
4eahE-3ayxA:
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.
4EAH_F_ACTF401_0
(ACTIN, ALPHA
SKELETAL MUSCLE
FORMIN-LIKE PROTEIN
3)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 4 ARG A 437
THR A 274
GLN A 430
GLU A 474
 None
 1.46A 4eahB-3ayxA:
4.4
4eahC-3ayxA:
0.5
4eahF-3ayxA:
0.0		 4eahB-3ayxA:
20.92
4eahC-3ayxA:
20.92
4eahF-3ayxA:
20.30
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.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 GLY A 560
PRO A 552
TYR A 395
GLY A  50
 None
 0.88A 4fjpA-3ayxA:
undetectable		 4fjpA-3ayxA:
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.
4G19_B_ACTB301_0
(GLUTATHIONE
TRANSFERASE GTE1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 ASN A 133
TYR A 288
TRP A 188
ARG A 582
 None
 1.06A 4g19B-3ayxA:
0.0		 4g19B-3ayxA:
17.99
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.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.82A 4hivD-3ayxA:
undetectable		 4hivD-3ayxA:
1.96
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.
4I00_A_ZMRA509_2
(NEURAMINIDASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 LEU A 195
TRP A 131
ILE A 463
ASN A 439
 None
 1.40A 4i00A-3ayxA:
undetectable		 4i00A-3ayxA:
20.72
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.
4IAQ_A_2GMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 ILE B  78
THR B  13
VAL B  81
ASP B  52
 None
 1.15A 4iaqA-3ayxB:
undetectable		 4iaqA-3ayxB:
22.30
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.
4IAR_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 7 ILE B  78
THR B  13
VAL B  81
ASP B  52
 None
 1.15A 4iarA-3ayxB:
undetectable		 4iarA-3ayxB:
22.41
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.
4JTP_A_ASCA802_0
(RRNA N-GLYCOSIDASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 ILE B  16
ASN B  76
TYR B  73
ILE B  69
 None
 1.04A 4jtpA-3ayxB:
undetectable		 4jtpA-3ayxB:
20.46
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.
4KMU_C_RFPC1401_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 SER A 594
LEU A 591
PRO A 552
ILE A 398
ARG A 402
 None
 1.38A 4kmuC-3ayxA:
undetectable		 4kmuC-3ayxA:
17.89
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.
4KMU_H_RFPH1401_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 SER A 594
LEU A 591
PRO A 552
ILE A 398
ARG A 402
 None
 1.47A 4kmuH-3ayxA:
0.0		 4kmuH-3ayxA:
17.89
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.
4L4D_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 8 THR A 518
VAL A 344
VAL A 410
ASP A 304
 None
 1.16A 4l4dA-3ayxA:
undetectable		 4l4dA-3ayxA:
20.63
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.
4OLT_B_GCSB302_1
(CHITOSANASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 ARG A  32
THR A  51
THR A  49
TYR A 373
 None
 1.26A 4oltB-3ayxA:
1.7		 4oltB-3ayxA:
17.62
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.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 GLU A 388
THR A 379
HIS A 350
ASN A  45
 None
 1.27A 4pfjB-3ayxA:
undetectable		 4pfjB-3ayxA:
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.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 GLU B  28
THR B  24
THR A 546
LEU A 126
 None
None
CYN  A 605 (-3.7A)
None
 1.00A 4pgfA-3ayxB:
3.4		 4pgfA-3ayxB:
22.92
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.
4PUO_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 8 LEU A 211
VAL B  42
LEU B  54
TYR A 207
 None
 0.94A 4puoC-3ayxA:
undetectable		 4puoC-3ayxA:
22.32
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.
4QVL_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qvlV-3ayxA:
undetectable
4qvlb-3ayxA:
undetectable		 4qvlV-3ayxA:
15.58
4qvlb-3ayxA:
16.70
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.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 4qvlH-3ayxA:
undetectable
4qvlN-3ayxA:
undetectable		 4qvlH-3ayxA:
15.58
4qvlN-3ayxA:
16.70
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.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qvmV-3ayxA:
undetectable
4qvmb-3ayxA:
undetectable		 4qvmV-3ayxA:
15.58
4qvmb-3ayxA:
16.70
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.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qvmH-3ayxA:
undetectable
4qvmN-3ayxA:
undetectable		 4qvmH-3ayxA:
15.58
4qvmN-3ayxA:
16.70
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.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.37A 4qvpV-3ayxA:
undetectable
4qvpb-3ayxA:
undetectable		 4qvpV-3ayxA:
15.58
4qvpb-3ayxA:
16.70
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.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.37A 4qvpH-3ayxA:
undetectable
4qvpN-3ayxA:
undetectable		 4qvpH-3ayxA:
15.58
4qvpN-3ayxA:
16.70
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.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.34A 4qvqV-3ayxA:
undetectable
4qvqb-3ayxA:
undetectable		 4qvqV-3ayxA:
15.58
4qvqb-3ayxA:
16.70
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.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qvqH-3ayxA:
undetectable
4qvqN-3ayxA:
undetectable		 4qvqH-3ayxA:
15.58
4qvqN-3ayxA:
16.70
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.
4QVW_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 4qvwV-3ayxA:
undetectable
4qvwb-3ayxA:
undetectable		 4qvwV-3ayxA:
15.58
4qvwb-3ayxA:
16.70
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.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 4qvwH-3ayxA:
undetectable
4qvwN-3ayxA:
undetectable		 4qvwH-3ayxA:
15.58
4qvwN-3ayxA:
16.70
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.
4QW0_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qw0V-3ayxA:
undetectable
4qw0b-3ayxA:
undetectable		 4qw0V-3ayxA:
15.58
4qw0b-3ayxA:
16.70
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.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qw0H-3ayxA:
undetectable
4qw0N-3ayxA:
undetectable		 4qw0H-3ayxA:
15.58
4qw0N-3ayxA:
16.70
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.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 4qw1H-3ayxA:
undetectable
4qw1N-3ayxA:
undetectable		 4qw1H-3ayxA:
15.58
4qw1N-3ayxA:
16.70
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.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qw3V-3ayxA:
undetectable
4qw3b-3ayxA:
undetectable		 4qw3V-3ayxA:
15.58
4qw3b-3ayxA:
16.70
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.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 4qw3H-3ayxA:
undetectable
4qw3N-3ayxA:
undetectable		 4qw3H-3ayxA:
15.58
4qw3N-3ayxA:
16.70
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.
4QWP_B_GCSB306_1
(CHITOSANASE)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 5 ARG A  32
THR A  51
THR A  49
TYR A 373
 None
 1.28A 4qwpB-3ayxA:
2.5		 4qwpB-3ayxA:
17.62
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.
4RVD_A_SAMA502_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 TYR A 207
ILE A 120
ALA A 203
PHE A 213
ARG A 469
 None
 0.89A 4rvdA-3ayxA:
undetectable		 4rvdA-3ayxA:
22.68
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.
4RVG_A_SAMA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 TYR A 207
ILE A 120
ALA A 203
PHE A 213
ARG A 469
 None
 0.90A 4rvgA-3ayxA:
undetectable		 4rvgA-3ayxA:
22.68
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.
4XI3_C_29SC601_2
(ESTROGEN RECEPTOR)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 LEU B  21
GLU A  28
ILE A  59
PRO B 159
 None
O  A 608 ( 3.1A)
None
F4S  B 301 ( 4.8A)
 0.99A 4xi3C-3ayxB:
undetectable		 4xi3C-3ayxB:
18.04
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.
4YV5_A_SVRA205_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 PHE A 174
ASN A 133
PRO A 134
ARG B  12
 None
 1.38A 4yv5B-3ayxA:
undetectable		 4yv5B-3ayxA:
10.70
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.
4YV5_B_SVRB207_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 6 PHE A 174
ASN A 133
PRO A 134
ARG B  12
 None
 1.39A 4yv5A-3ayxA:
1.5		 4yv5A-3ayxA:
10.70
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.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.32A 5bxnV-3ayxA:
undetectable
5bxnb-3ayxA:
undetectable		 5bxnV-3ayxA:
16.78
5bxnb-3ayxA:
16.70
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.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.34A 5bxnH-3ayxA:
undetectable
5bxnN-3ayxA:
undetectable		 5bxnH-3ayxA:
16.78
5bxnN-3ayxA:
16.70
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.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.36A 5cz7H-3ayxA:
undetectable
5cz7N-3ayxA:
undetectable		 5cz7H-3ayxA:
15.58
5cz7N-3ayxA:
16.70
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.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.34A 5d0xV-3ayxA:
undetectable
5d0xb-3ayxA:
undetectable		 5d0xV-3ayxA:
15.58
5d0xb-3ayxA:
16.70
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.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.35A 5d0xH-3ayxA:
undetectable
5d0xN-3ayxA:
undetectable		 5d0xH-3ayxA:
15.58
5d0xN-3ayxA:
16.70
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.
5DBY_A_ACTA610_0
(SERUM ALBUMIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 TYR B  77
LYS B  74
LYS B  70
 None
 0.90A 5dbyA-3ayxB:
undetectable		 5dbyA-3ayxB:
18.86
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.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 ASP B 197
HIS B 196
PRO B 233
PHE B 205
TYR B 226
 None
SF4  B 309 (-3.2A)
SF4  B 309 ( 4.5A)
None
None
 1.44A 5ef8A-3ayxB:
undetectable		 5ef8A-3ayxB:
21.39
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.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 7 ILE B 252
VAL A 262
PHE A 261
PHE A 224
 SF4  B 309 ( 4.1A)
None
None
None
 0.99A 5hieC-3ayxB:
undetectable		 5hieC-3ayxB:
19.06
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.
5IL1_A_SAMA601_0
(METTL3)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 ILE A 182
ARG A  26
PRO A 134
LEU A 129
GLY A 181
 None
 1.23A 5il1A-3ayxA:
undetectable		 5il1A-3ayxA:
15.85
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.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		6 / 12 ILE A 182
ARG A  26
PRO A 134
LEU A 129
PHE A 183
GLY A 181
 None
 1.31A 5k7uA-3ayxA:
undetectable		 5k7uA-3ayxA:
16.84
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.
5KKZ_O_ASCO1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		4 / 7 HIS A 119
ILE A 120
VAL A 121
ARG B  32
 None
 1.13A 5kkzM-3ayxA:
undetectable
5kkzO-3ayxA:
0.0		 5kkzM-3ayxA:
16.12
5kkzO-3ayxA:
20.84
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.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.32A 5l5zV-3ayxA:
undetectable
5l5zb-3ayxA:
undetectable		 5l5zV-3ayxA:
15.58
5l5zb-3ayxA:
16.70
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.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.32A 5l5zH-3ayxA:
undetectable
5l5zN-3ayxA:
undetectable		 5l5zH-3ayxA:
15.58
5l5zN-3ayxA:
16.70
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.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.33A 5l66V-3ayxA:
undetectable
5l66b-3ayxA:
undetectable		 5l66V-3ayxA:
15.58
5l66b-3ayxA:
16.70
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.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 11 HIS A 596
THR A 546
THR A 547
GLY A  29
ALA A 592
 MG  A 701 (-3.3A)
CYN  A 605 (-3.7A)
None
None
O  A 608 ( 3.6A)
 1.32A 5l66H-3ayxA:
undetectable
5l66N-3ayxA:
undetectable		 5l66H-3ayxA:
15.58
5l66N-3ayxA:
16.70
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.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 4 ASN A   8
SER A 400
ALA A 407
VAL A 408
 None
 1.26A 5nm5A-3ayxA:
undetectable		 5nm5A-3ayxA:
21.06
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.
5NWW_A_ACAA18_2
(SCRFP-TAG,GP41)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 LYS A 503
TRP A 504
SER A 508
 None
 1.31A 5nwwA-3ayxA:
undetectable		 5nwwA-3ayxA:
4.88
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.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		3 / 3 THR A  25
MET A  31
HIS A  30
 None
 1.02A 5uunA-3ayxA:
undetectable		 5uunA-3ayxA:
18.46
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.
6DLZ_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		5 / 10 MET B  55
LEU B  43
ASP B  49
ILE A 171
PRO A 134
 None
 1.13A 6dlzB-3ayxB:
3.8
6dlzC-3ayxB:
4.4		 6dlzB-3ayxB:
13.78
6dlzC-3ayxB:
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.
6DLZ_D_CYZD1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		5 / 11 ILE A 171
PRO A 134
MET B  55
LEU B  43
ASP B  49
 None
 1.13A 6dlzA-3ayxA:
undetectable
6dlzD-3ayxA:
2.8		 6dlzA-3ayxA:
8.84
6dlzD-3ayxA:
8.84
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.
6DM0_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		5 / 10 MET B  55
LEU B  43
ASP B  49
ILE A 171
PRO A 134
 None
 1.13A 6dm0B-3ayxB:
4.3
6dm0C-3ayxB:
4.4		 6dm0B-3ayxB:
13.78
6dm0C-3ayxB:
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.
6DM0_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		5 / 10 MET B  55
LEU B  43
LEU B  48
ASP B  49
ILE A 171
 None
 1.25A 6dm0B-3ayxB:
4.3
6dm0C-3ayxB:
4.4		 6dm0B-3ayxB:
13.78
6dm0C-3ayxB:
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.
6DM1_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		5 / 10 MET B  55
LEU B  43
ASP B  49
ILE A 171
PRO A 134
 None
 1.13A 6dm1B-3ayxB:
3.9
6dm1C-3ayxB:
4.3		 6dm1B-3ayxB:
13.78
6dm1C-3ayxB:
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.
6DM1_D_CYZD1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		5 / 11 ILE A 171
PRO A 134
MET B  55
LEU B  43
ASP B  49
 None
 1.13A 6dm1A-3ayxA:
undetectable
6dm1D-3ayxA:
2.8		 6dm1A-3ayxA:
8.84
6dm1D-3ayxA:
8.84
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.
6DM2_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		5 / 10 MET B  55
LEU B  43
ASP B  49
ILE A 171
PRO A 134
 None
 1.12A 6dm2B-3ayxB:
4.1
6dm2C-3ayxB:
4.3		 6dm2B-3ayxB:
13.78
6dm2C-3ayxB:
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.
6DM2_D_CYZD1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		5 / 10 ILE A 171
PRO A 134
MET B  55
LEU B  43
ASP B  49
 None
 1.12A 6dm2A-3ayxA:
undetectable
6dm2D-3ayxA:
5.2		 6dm2A-3ayxA:
8.84
6dm2D-3ayxA:
8.84
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.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 10 VAL A 408
LEU A 297
LEU A 418
GLY A 405
GLY A 323
 None
 1.10A 6eu9B-3ayxA:
undetectable		 6eu9B-3ayxA:
8.94
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.
6MN4_F_AM2F301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 7 HIS A 363
ARG A 404
HIS A 406
ASP A 340
 None
 1.30A 6mn4F-3ayxA:
undetectable		 6mn4F-3ayxA:
18.64