Skip to main content

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.