psnGPCR

Code	JIX
Name	(1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Synonyms
Identifier
Formula	C7 H9 N O5
Molecular Weight	187.15
SMILES
PubChem	92460481
Formal Charge	0
Total Atoms	22
Total Chiral Atoms	4
Total Bonds	23
Total Aromatic Bonds	0
Networks	1

This ligand is also present in the following network:

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

8TR2

Aminoacid

Metabotropic Glutamate

mGlu3; mGlu3

Rattus Norvegicus

Ca; LY379268

3.5

2024-07-31

doi.org/10.1101/2023.08.13.552748

A 2D representation of the interactions of JIX in 8TR2
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:P46	R:R:S149	7.13	1	No	Yes	5	5	2	1
R:R:P46	W:W:?2	9.05	1	No	Yes	5	0	2	2
R:R:R64	R:R:R68	10.66	1	Yes	Yes	5	5	1	1
R:R:Q306	R:R:R64	19.86	1	No	Yes	4	5	2	1
R:R:E387	R:R:R64	5.82	1	Yes	Yes	6	5	2	1
L:L:?1	R:R:R64	13.78	1	Yes	Yes	0	5	0	1
R:R:R68	R:R:S149	3.95	1	Yes	Yes	5	5	1	1
R:R:R68	R:R:Y171	4.12	1	Yes	Yes	5	7	1	2
R:R:A172	R:R:R68	4.15	1	Yes	Yes	5	5	1	1
R:R:E387	R:R:R68	17.45	1	Yes	Yes	6	5	2	1
R:R:K389	R:R:R68	6.19	1	Yes	Yes	4	5	1	1
R:R:R68	R:R:V393	3.92	1	Yes	No	5	7	1	2
L:L:?1	R:R:R68	9.85	1	Yes	Yes	0	5	0	1
R:R:S100	R:R:Y150	6.36	0	No	Yes	3	4	2	1
R:R:S149	R:R:Y171	6.36	1	Yes	Yes	5	7	1	2
L:L:?1	R:R:S149	3.65	1	Yes	Yes	0	5	0	1
R:R:S149	W:W:?2	2.76	1	Yes	Yes	5	0	1	2
R:R:R277	R:R:Y150	18.52	1	Yes	Yes	5	4	2	1
R:R:D279	R:R:Y150	4.6	1	No	Yes	2	4	2	1
L:L:?1	R:R:Y150	4.75	1	Yes	Yes	0	4	0	1
R:R:Y150	W:W:?2	4.31	1	Yes	Yes	4	0	1	2
R:R:A172	R:R:Y171	5.34	1	Yes	Yes	5	7	1	2
R:R:V393	R:R:Y171	6.31	1	No	Yes	7	7	2	2
R:R:A172	R:R:K389	4.82	1	Yes	Yes	5	4	1	1
L:L:?1	R:R:A172	3.83	1	Yes	Yes	0	5	0	1
R:R:D194	R:R:T174	7.23	1	Yes	No	8	8	2	2
R:R:D301	R:R:T174	2.89	1	Yes	No	8	8	1	2
R:R:D194	R:R:Q197	9.14	1	Yes	Yes	8	9	2	2
R:R:D194	R:R:Y222	8.05	1	Yes	Yes	8	7	2	1
R:R:D194	R:R:F275	5.97	1	Yes	Yes	8	7	2	2
R:R:Q197	R:R:S300	5.78	0	Yes	No	9	8	2	2
R:R:D301	R:R:Q197	11.75	1	Yes	Yes	8	9	1	2
R:R:F275	R:R:Y222	6.19	1	Yes	Yes	7	7	2	1
R:R:S300	R:R:Y222	6.36	1	No	Yes	8	7	2	1
R:R:D301	R:R:Y222	4.6	1	Yes	Yes	8	7	1	1
R:R:G302	R:R:Y222	4.35	1	No	Yes	6	7	1	1
L:L:?1	R:R:Y222	21.85	1	Yes	Yes	0	7	0	1
R:R:F275	R:R:S300	7.93	1	Yes	No	7	8	2	2
R:R:D279	R:R:R277	3.57	1	No	Yes	2	5	2	2
R:R:D301	R:R:G302	3.35	1	Yes	No	8	6	1	1
R:R:D301	R:R:L325	4.07	1	Yes	Yes	8	5	1	2
R:R:D301	R:R:K389	4.15	1	Yes	Yes	8	4	1	1
L:L:?1	R:R:D301	7.7	1	Yes	Yes	0	8	0	1
L:L:?1	R:R:G302	2.77	1	Yes	No	0	6	0	1
R:R:K389	R:R:L325	2.82	1	Yes	Yes	4	5	1	2
R:R:F392	R:R:L325	4.87	1	Yes	Yes	7	5	2	2
R:R:E387	R:R:K389	5.4	1	Yes	Yes	6	4	2	1
R:R:F392	R:R:K389	3.72	1	Yes	Yes	7	4	2	1
L:L:?1	R:R:K389	6.86	1	Yes	Yes	0	4	0	1

Statistics	Value
Average Number Of Links	9.00
Average Number Of Links With An Hub	8.00
Average Interaction Strength	8.34
Average Nodes In Shell	26.00
Average Hubs In Shell	18.00
Average Links In Shell	49.00
Average Links Mediated by Hubs In Shell	49.00

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

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

A 2D representation of the interactions of JIX in 8TR2
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
S:S:P46	S:S:S149	7.13	2	No	Yes	5	5	2	1
S:S:P46	X:X:?3	9.05	2	No	Yes	5	0	2	2
S:S:R64	S:S:R68	10.66	2	Yes	Yes	5	5	1	1
S:S:Q306	S:S:R64	19.86	2	No	Yes	4	5	2	1
S:S:E387	S:S:R64	5.82	2	Yes	Yes	6	5	2	1
M:M:?1	S:S:R64	13.78	2	Yes	Yes	0	5	0	1
S:S:R68	S:S:S149	3.95	2	Yes	Yes	5	5	1	1
S:S:R68	S:S:Y171	4.12	2	Yes	Yes	5	7	1	2
S:S:A172	S:S:R68	4.15	2	Yes	Yes	5	5	1	1
S:S:E387	S:S:R68	17.45	2	Yes	Yes	6	5	2	1
S:S:K389	S:S:R68	6.19	2	Yes	Yes	4	5	1	1
S:S:R68	S:S:V393	3.92	2	Yes	No	5	7	1	2
M:M:?1	S:S:R68	9.85	2	Yes	Yes	0	5	0	1
S:S:S100	S:S:Y150	6.36	0	No	Yes	3	4	2	1
S:S:S149	S:S:Y171	6.36	2	Yes	Yes	5	7	1	2
M:M:?1	S:S:S149	3.65	2	Yes	Yes	0	5	0	1
S:S:S149	X:X:?3	2.76	2	Yes	Yes	5	0	1	2
S:S:R277	S:S:Y150	18.52	2	Yes	Yes	5	4	2	1
S:S:D279	S:S:Y150	4.6	2	No	Yes	2	4	2	1
M:M:?1	S:S:Y150	4.75	2	Yes	Yes	0	4	0	1
S:S:Y150	X:X:?3	4.31	2	Yes	Yes	4	0	1	2
S:S:A172	S:S:Y171	5.34	2	Yes	Yes	5	7	1	2
S:S:V393	S:S:Y171	6.31	2	No	Yes	7	7	2	2
S:S:A172	S:S:K389	4.82	2	Yes	Yes	5	4	1	1
M:M:?1	S:S:A172	3.83	2	Yes	Yes	0	5	0	1
S:S:D194	S:S:T174	7.23	2	Yes	No	8	8	2	2
S:S:D301	S:S:T174	2.89	2	Yes	No	8	8	1	2
S:S:D194	S:S:Q197	9.14	2	Yes	Yes	8	9	2	2
S:S:D194	S:S:Y222	8.05	2	Yes	Yes	8	7	2	1
S:S:D194	S:S:F275	5.97	2	Yes	Yes	8	7	2	2
S:S:Q197	S:S:S300	5.78	0	Yes	No	9	8	2	2
S:S:D301	S:S:Q197	11.75	2	Yes	Yes	8	9	1	2
S:S:F275	S:S:Y222	6.19	2	Yes	Yes	7	7	2	1
S:S:S300	S:S:Y222	6.36	2	No	Yes	8	7	2	1
S:S:D301	S:S:Y222	4.6	2	Yes	Yes	8	7	1	1
S:S:G302	S:S:Y222	4.35	2	No	Yes	6	7	1	1
M:M:?1	S:S:Y222	21.85	2	Yes	Yes	0	7	0	1
S:S:F275	S:S:S300	7.93	2	Yes	No	7	8	2	2
S:S:D279	S:S:R277	3.57	2	No	Yes	2	5	2	2
S:S:D301	S:S:G302	3.35	2	Yes	No	8	6	1	1
S:S:D301	S:S:L325	4.07	2	Yes	Yes	8	5	1	2
S:S:D301	S:S:K389	4.15	2	Yes	Yes	8	4	1	1
M:M:?1	S:S:D301	7.7	2	Yes	Yes	0	8	0	1
M:M:?1	S:S:G302	2.77	2	Yes	No	0	6	0	1
S:S:K389	S:S:L325	2.82	2	Yes	Yes	4	5	1	2
S:S:F392	S:S:L325	4.87	2	Yes	Yes	7	5	2	2
S:S:E387	S:S:K389	5.4	2	Yes	Yes	6	4	2	1
S:S:F392	S:S:K389	3.72	2	Yes	Yes	7	4	2	1
M:M:?1	S:S:K389	6.86	2	Yes	Yes	0	4	0	1

Statistics	Value
Average Number Of Links	9.00
Average Number Of Links With An Hub	8.00
Average Interaction Strength	8.34
Average Nodes In Shell	26.00
Average Hubs In Shell	18.00
Average Links In Shell	49.00
Average Links Mediated by Hubs In Shell	49.00

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	9.00
Average Number Of Links With An Hub	8.00
Average Interaction Strength	8.34
Average Nodes In Shell	26.00
Average Hubs In Shell	18.00
Average Links In Shell	49.00
Average Links Mediated by Hubs In Shell	49.00

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)