SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'H2S'


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.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		4 / 5 SER A 511
PHE A 512
GLU A 329
GLY A 330
 None
H2S  A 740 ( 4.6A)
None
None
 0.88A 1icvC-3gitA:
undetectable
1icvD-3gitA:
undetectable		 1icvC-3gitA:
18.97
1icvD-3gitA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICV_D_NIOD706_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		4 / 5 GLU A 329
GLY A 330
SER A 511
PHE A 512
 None
None
None
H2S  A 740 ( 4.6A)
 0.87A 1icvC-3gitA:
undetectable
1icvD-3gitA:
undetectable		 1icvC-3gitA:
18.97
1icvD-3gitA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 ILE A  72
GLY A 116
VAL A 131
ALA A 121
GLY A 110
 None
H2S  A1268 ( 4.4A)
None
None
SF4  A 267 ( 3.7A)
 1.17A 1kiaB-1yq9A:
undetectable		 1kiaB-1yq9A:
22.39
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.
1KQB_D_BEZD523_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		4 / 6 GLU A 329
GLY A 330
SER A 511
PHE A 512
 None
None
None
H2S  A 740 ( 4.6A)
 0.85A 1kqbC-3gitA:
undetectable
1kqbD-3gitA:
undetectable		 1kqbC-3gitA:
19.44
1kqbD-3gitA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 9 GLY A 250
PRO A 148
GLY A 149
GLY A 119
GLY A 118
 F3S  A 267 ( 4.5A)
None
None
H2S  A 904 (-3.5A)
H2S  A 904 ( 4.4A)
 1.01A 1mxdA-1e3dA:
0.0		 1mxdA-1e3dA:
18.94
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.
1P9G_A_ACTA42_0
(EAFP 2)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		3 / 3 CYH A 311
ARG A 300
CYH A 319
 FES  A 409 ( 2.2A)
None
H2S  A 410 ( 2.0A)
 1.31A 1p9gA-4jxcA:
undetectable		 1p9gA-4jxcA:
5.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 PHE B 110
THR B  77
GLY B 471
THR B 376
 H2S  B 904 (-3.5A)
FNE  B 543 ( 4.4A)
None
None
 0.91A 2a1mA-1e3dB:
undetectable		 2a1mA-1e3dB:
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.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		4 / 6 ARG B 422
TYR B 114
THR B  80
ALA B  81
 FCO  B 500 (-4.2A)
None
H2S  B 503 (-4.1A)
H2S  B 503 (-3.5A)
 1.27A 2ql8A-3ze7B:
undetectable
2ql8B-3ze7B:
undetectable		 2ql8A-3ze7B:
18.18
2ql8B-3ze7B:
18.18
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		5 / 10 PHE L 105
GLY L 106
ALA L 391
PHE L 254
THR L 385
 H2S  L 502 (-4.7A)
None
None
None
None
 1.41A 3a3yA-1cc1L:
0.0		 3a3yA-1cc1L:
19.41
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 8 GLY A 119
GLY A 118
GLY A 132
ILE A 133
 H2S  A 904 (-3.5A)
H2S  A 904 ( 4.4A)
None
None
 0.68A 3d41A-1e3dA:
undetectable		 3d41A-1e3dA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_D_VIAD901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		5 / 11 GLN B 116
ALA B  85
MET B 183
GLN B 189
PHE B 110
 None
None
None
None
H2S  B 503 (-4.8A)
 1.42A 3jwqA-3ze7B:
undetectable
3jwqD-3ze7B:
undetectable		 3jwqA-3ze7B:
21.44
3jwqD-3ze7B:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TZF_B_08DB280_1
(7,8-DIHYDROPTEROATE
SYNTHASE)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		4 / 8 PHE B 262
THR B 418
GLY B 111
PHE B 110
 None
None
None
H2S  B 503 (-4.8A)
 0.72A 3tzfB-3ze7B:
undetectable		 3tzfB-3ze7B:
22.04
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.
4MA3_L_ACTL301_0
(C2095 HEAVY CHAIN
C2095 LIGHT CHAIN)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		3 / 3 PRO L  74
ASN L 108
HIS L 176
 None
H2S  L 502 (-4.0A)
None
 1.00A 4ma3H-1cc1L:
0.0
4ma3L-1cc1L:
0.0		 4ma3H-1cc1L:
15.86
4ma3L-1cc1L:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MA3_L_ACTL301_0
(C2095 HEAVY CHAIN
C2095 LIGHT CHAIN)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		3 / 3 PRO B  79
ASN B 113
HIS B 173
 OCS  B  75 ( 3.1A)
H2S  B 503 (-4.1A)
None
 1.00A 4ma3H-3ze7B:
undetectable
4ma3L-3ze7B:
undetectable		 4ma3H-3ze7B:
18.59
4ma3L-3ze7B:
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.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 ASN A 255
ASP A 135
GLY A 132
 H2S  A 904 (-4.9A)
None
None
 0.67A 5fctB-1e3dA:
0.0		 5fctB-1e3dA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 1cc1 HYDROGENASE (LARGE
SUBUNIT)
(Desulfomicrobium
baculatum) 		3 / 3 ARG L 425
PRO L 424
ASN L 108
 FCO  L 499 (-4.1A)
FCO  L 499 ( 3.5A)
H2S  L 502 (-4.0A)
 0.98A 5jwaA-1cc1L:
0.0
5jwaH-1cc1L:
0.0		 5jwaA-1cc1L:
23.08
5jwaH-1cc1L:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING
(Desulfovibrio
vulgaris) 		3 / 3 ARG B 422
PRO B 421
ASN B 113
 FCO  B 500 (-4.2A)
FCO  B 500 ( 3.6A)
H2S  B 503 (-4.1A)
 0.93A 5jwaA-3ze7B:
undetectable
5jwaH-3ze7B:
undetectable		 5jwaA-3ze7B:
22.80
5jwaH-3ze7B:
22.80