psnGPCR

Code	ALE
Name	Epinephrine
Synonyms	(−)-3,4-dihydroxy-α-((methylamino)methyl)benzyl alcohol
Identifier	4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
Formula	C9 H13 N O3
Molecular Weight	183.204
SMILES	CNC[C@@H](c1ccc(c(c1)O)O)O
PubChem	5816
Formal Charge	0
Total Atoms	26
Total Chiral Atoms	1
Total Bonds	26
Total Aromatic Bonds	6
Networks	3

This ligand is also present in the following 3 networks:

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

4LDO

Amine

Adrenergic

Beta2

Homo sapiens

L-Epinephrine

3.2

2013-09-25

10.1038/nature12572

A 2D representation of the interactions of ALE in 4LDO
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M82	R:R:V86	4.56	1	Yes	No	7	7	2	2
R:R:M82	R:R:Y316	7.18	1	Yes	Yes	7	6	2	1
R:R:D113	R:R:V86	7.3	1	No	No	7	7	1	2
R:R:V86	R:R:Y316	5.05	1	No	Yes	7	6	2	1
R:R:D113	R:R:Y316	10.34	1	No	Yes	7	6	1	1
L:L:?402	R:R:D113	22.15	1	Yes	No	0	7	0	1
R:R:V114	R:R:Y199	3.79	0	No	Yes	5	6	1	2
L:L:?402	R:R:V114	11.44	1	Yes	No	0	5	0	1
R:R:V117	R:R:W286	9.81	0	No	Yes	6	8	1	2
L:L:?402	R:R:V117	10.01	1	Yes	No	0	6	0	1
R:R:F193	R:R:T195	6.49	0	No	No	4	3	1	2
R:R:F193	R:R:Y308	4.13	0	No	Yes	4	5	1	2
L:L:?402	R:R:F193	15.2	1	Yes	No	0	4	0	1
R:R:T195	R:R:Y199	3.75	2	No	Yes	3	6	2	2
R:R:S203	R:R:Y199	5.09	0	No	Yes	5	6	1	2
L:L:?402	R:R:S203	7.21	1	Yes	No	0	5	0	1
R:R:F290	R:R:S204	5.28	1	Yes	No	7	5	1	2
R:R:N293	R:R:S204	4.47	1	Yes	No	5	5	1	2
R:R:F208	R:R:F290	20.36	1	Yes	Yes	8	7	2	1
R:R:F289	R:R:W286	7.02	1	Yes	Yes	6	8	1	2
R:R:F290	R:R:W286	5.01	1	Yes	Yes	7	8	1	2
R:R:F289	R:R:F290	13.93	1	Yes	Yes	6	7	1	1
R:R:F289	R:R:N293	8.46	1	Yes	Yes	6	5	1	1
R:R:F289	R:R:Y308	8.25	1	Yes	Yes	6	5	1	2
R:R:F289	R:R:N312	14.5	1	Yes	No	6	5	1	1
L:L:?402	R:R:F289	10.52	1	Yes	Yes	0	6	0	1
L:L:?402	R:R:F290	9.35	1	Yes	Yes	0	7	0	1
R:R:N293	R:R:Y308	9.3	1	Yes	Yes	5	5	1	2
L:L:?402	R:R:N293	5.27	1	Yes	Yes	0	5	0	1
R:R:N312	R:R:Y316	10.47	1	No	Yes	5	6	1	1
L:L:?402	R:R:N312	18.45	1	Yes	No	0	5	0	1
R:R:W313	R:R:Y316	14.47	1	Yes	Yes	5	6	2	1
L:L:?402	R:R:Y316	7.88	1	Yes	Yes	0	6	0	1

Statistics	Value
Average Number Of Links	10.00
Average Number Of Links With An Hub	4.00
Average Interaction Strength	11.75
Average Nodes In Shell	20.00
Average Hubs In Shell	11.00
Average Links In Shell	33.00
Average Links Mediated by Hubs In Shell	31.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

7BTS

Amine

Adrenergic

Beta1

Homo sapiens

L-Epinephrine

3.13

2020-12-02

10.1038/s41422-020-00424-2

A 2D representation of the interactions of ALE in 7BTS
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M107	R:R:V111	4.56	0	Yes	Yes	7	7	2	2
R:R:M107	R:R:V142	4.56	0	Yes	Yes	7	6	2	1
R:R:D138	R:R:V111	8.76	1	Yes	Yes	7	7	1	2
R:R:V111	R:R:Y367	3.79	1	Yes	Yes	7	8	2	1
R:R:V112	R:R:Y367	5.05	0	No	Yes	7	8	2	1
R:R:D138	R:R:V142	4.38	1	Yes	Yes	7	6	1	1
R:R:D138	R:R:Y367	10.34	1	Yes	Yes	7	8	1	1
L:L:?401	R:R:D138	19.54	1	Yes	Yes	0	7	0	1
R:R:S190	R:R:V139	3.23	4	No	No	7	7	2	1
R:R:V139	R:R:Y224	3.79	0	No	Yes	7	7	1	2
L:L:?401	R:R:V139	18.59	1	Yes	No	0	7	0	1
R:R:V142	R:R:W337	9.81	1	Yes	Yes	6	8	1	2
L:L:?401	R:R:V142	8.58	1	Yes	Yes	0	6	0	1
R:R:S232	R:R:T143	9.59	0	No	Yes	7	7	1	2
R:R:F218	R:R:W199	7.02	1	Yes	Yes	6	6	1	2
R:R:W199	R:R:Y224	4.82	1	Yes	Yes	6	7	2	2
R:R:F218	R:R:N344	3.62	1	Yes	Yes	6	6	1	1
R:R:F218	R:R:F359	3.22	1	Yes	Yes	6	5	1	2
L:L:?401	R:R:F218	16.37	1	Yes	Yes	0	6	0	1
R:R:S228	R:R:Y224	11.45	0	No	Yes	6	7	1	2
L:L:?401	R:R:S228	10.09	1	Yes	No	0	6	0	1
R:R:S229	R:R:Y234	3.82	1	Yes	Yes	7	5	2	2
R:R:F341	R:R:S229	5.28	1	Yes	Yes	7	7	1	2
R:R:N344	R:R:S229	4.47	1	Yes	Yes	6	7	1	2
L:L:?401	R:R:S232	8.65	1	Yes	No	0	7	0	1
R:R:F233	R:R:Y234	9.28	1	Yes	Yes	8	5	2	2
R:R:F233	R:R:F341	21.43	1	Yes	Yes	8	7	2	1
R:R:F341	R:R:Y234	3.09	1	Yes	Yes	7	5	1	2
R:R:F340	R:R:W337	5.01	1	Yes	Yes	7	8	1	2
R:R:F341	R:R:W337	10.02	1	Yes	Yes	7	8	1	2
R:R:F340	R:R:F341	11.79	1	Yes	Yes	7	7	1	1
R:R:F340	R:R:N344	8.46	1	Yes	Yes	7	6	1	1
R:R:F340	R:R:F359	7.5	1	Yes	Yes	7	5	1	2
R:R:F340	R:R:N363	15.71	1	Yes	No	7	6	1	1
L:L:?401	R:R:F340	8.18	1	Yes	Yes	0	7	0	1
L:L:?401	R:R:F341	8.18	1	Yes	Yes	0	7	0	1
R:R:F359	R:R:N344	3.62	1	Yes	Yes	5	6	2	1
L:L:?401	R:R:N344	6.59	1	Yes	Yes	0	6	0	1
R:R:N363	R:R:Y367	11.63	1	No	Yes	6	8	1	1
L:L:?401	R:R:N363	14.5	1	Yes	No	0	6	0	1
R:R:W364	R:R:Y367	15.43	1	Yes	Yes	7	8	2	1
L:L:?401	R:R:Y367	4.5	1	Yes	Yes	0	8	0	1

Statistics	Value
Average Number Of Links	11.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	11.25
Average Nodes In Shell	25.00
Average Hubs In Shell	19.00
Average Links In Shell	42.00
Average Links Mediated by Hubs In Shell	41.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

8THL

Amine

Adrenergic

Alpha1A

Homo Sapiens

Epinephrine

chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2

3.1

2023-08-16

10.1038/s41467-023-40524-2

A 2D representation of the interactions of ALE in 8THL
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:C110	R:R:L75	3.17	1	No	No	6	8	1	2
R:R:D106	R:R:V79	13.15	1	No	Yes	7	8	1	2
R:R:V79	R:R:Y316	3.79	1	Yes	Yes	8	7	2	1
R:R:L80	R:R:Y316	4.69	0	No	Yes	8	7	2	1
R:R:S83	R:R:W313	6.18	1	No	Yes	7	6	2	2
R:R:S83	R:R:Y316	7.63	1	No	Yes	7	7	2	1
R:R:D106	R:R:Y316	10.34	1	No	Yes	7	7	1	1
L:L:?1	R:R:D106	16.94	1	Yes	No	0	7	0	1
R:R:S158	R:R:V107	3.23	0	No	No	8	6	2	1
R:R:V107	R:R:Y184	3.79	0	No	Yes	6	8	1	2
L:L:?1	R:R:V107	10.01	1	Yes	No	0	6	0	1
R:R:C110	R:R:W285	5.22	1	No	Yes	6	8	1	1
L:L:?1	R:R:C110	9.14	1	Yes	No	0	6	0	1
R:R:F281	R:R:I114	3.77	1	Yes	No	9	8	2	2
R:R:I114	R:R:W285	15.27	1	No	Yes	8	8	2	1
R:R:F312	R:R:I178	5.02	1	Yes	No	6	6	1	2
R:R:S188	R:R:Y184	12.72	0	No	Yes	7	8	1	2
R:R:M292	R:R:V185	6.09	0	No	No	7	6	1	2
L:L:?1	R:R:S188	7.21	1	Yes	No	0	7	0	1
R:R:F289	R:R:S192	5.28	1	Yes	No	7	6	1	2
R:R:F193	R:R:F281	4.29	1	Yes	Yes	8	9	2	2
R:R:F193	R:R:W285	5.01	1	Yes	Yes	8	8	2	1
R:R:F193	R:R:F289	18.22	1	Yes	Yes	8	7	2	1
R:R:F281	R:R:W285	5.01	1	Yes	Yes	9	8	2	1
R:R:F289	R:R:W285	5.01	1	Yes	Yes	7	8	1	1
R:R:G315	R:R:W285	8.44	0	No	Yes	7	8	2	1
R:R:N318	R:R:W285	7.91	0	No	Yes	9	8	2	1
L:L:?1	R:R:W285	5.47	1	Yes	Yes	0	8	0	1
R:R:F288	R:R:V311	9.18	1	No	No	7	5	1	2
R:R:F288	R:R:F312	16.08	1	No	Yes	7	6	1	1
L:L:?1	R:R:F288	11.69	1	Yes	No	0	7	0	1
L:L:?1	R:R:F289	10.52	1	Yes	Yes	0	7	0	1
R:R:M292	R:R:P293	11.74	0	No	No	7	6	1	2
L:L:?1	R:R:M292	6.79	1	Yes	No	0	7	0	1
R:R:F308	R:R:F312	3.22	0	No	Yes	4	6	2	1
R:R:F312	R:R:Y316	5.16	1	Yes	Yes	6	7	1	1
L:L:?1	R:R:F312	12.86	1	Yes	Yes	0	6	0	1
R:R:W313	R:R:Y316	8.68	1	Yes	Yes	6	7	2	1
L:L:?1	R:R:Y316	9	1	Yes	Yes	0	7	0	1
R:R:A189	R:R:F289	2.77	0	No	Yes	7	7	2	1

Statistics	Value
Average Number Of Links	10.00
Average Number Of Links With An Hub	4.00
Average Interaction Strength	9.96
Average Nodes In Shell	30.00
Average Hubs In Shell	10.00
Average Links In Shell	40.00
Average Links Mediated by Hubs In Shell	35.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Statistics	Value
Average Number Of Links	10.33
Average Number Of Links With An Hub	5.00
Average Interaction Strength	10.99
Average Nodes In Shell	25.00
Average Hubs In Shell	13.33
Average Links In Shell	38.33
Average Links Mediated by Hubs In Shell	35.67

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)