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Table 1 The 6.47-7.45 interaction in the analyzed crystal structures

From: The role of Cysteine 6.47 in class A GPCRs

 

Crystal structure

TM6-TM7 hydrogen bond

Receptor name

Structure name

PDB ID

Res.(Å)

Pair

N7.45

D… A (Å)

Cβ-D…A (°)

β2-adrenergic

β2ARINV

2RH1 [11]

2.4

C6.47-N7.45

CO

3.8

84.5

β2ARAGO

3SN6 [12]

3.2

CO

4.4

81.2

β1-adrenergic (turkey)

β1ARINV

2VT4 [13]

2.7

C6.47-N7.45

CO

3.7

79.3

β1ARAGO

2Y02 [14]

2.6

CO

3.9

85.3

Dopamine D3

D3RINV

3PBL [15]

2.9

C6.47-N7.45

CO

3.8

81.6

Histamine H1

H1RINV

3RZE [16]

3.1

C6.47-N7.45

CO

4.2

80.9

Adenosine A2A

A2ARINV

4EIY [17]

1.8

C6.47-N7.45

NH2

3.9

84.5

 

A2ARAGO

2YDV [18]

2.6

 

CO

4.3

74.4

κ opioid

κORINV

4DJH [19]

2.9

C6.47-N7.45

CO

4.1

81.2

μ opioid (mouse)

μORINV

4DKL [20]

2.8

C6.47-N7.45

CO

3.6

87.5

δ opioid (mouse)

δORINV

4EJ4 [21]

3.4

C6.47-N7.45

NH2

3.8

89.8

N/OFQ Opioid

N/OFQINV

4EA3 [22]

3.0

C6.47-N7.45

NH2

4.2

85.6

Sphingosine 1-phosph. 1

S1PR1 INV

3V2Y [23]

2.8

C6.47-N7.45

NH2

3.4

81.1

CXCR4 chemokine

CXCR4INV

3ODU [24]

2.5

C6.47-H7.45

-

-

-

M2 musc. ach.

M2RINV

3UON [25]

3.0

T6.47-N7.45

NH2

3.2

120.2

M3 musc. ach. (rat)

M3RINV

4DAJ [26]

3.4

T6.47-N7.45

NH2

4

140.7

Rhodopsin (bovine)

bRhoINV

1GZM [27]

2.7

C6.47-T7.44

-

3.7

101.8

bRhoAGO

3PQR [28]

2.9

-

8.8

-

Rhodopsin (squid)

sRhoINV

2Z73 [29]

2.5

Q6.43-S7.54

-

2.4

111.2

  1. (Left) Crystal structures used within the manuscript (INV: inverse agonist or antagonist; AGO: agonist); Protein Data Bank Identification Code and Resolution; receptor structures are human unless stated. (Right) Characterization of the TM6-TM7 hydrogen bond: pair involved, N7.45 rotamer (CO/NH2 indicates the closer group to C6.47 as in their crystal structure), donor(D)-acceptor(A) distance and Cβ-donor(D)···acceptor(A) angle.