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Table 7 Persistent edges categorized based on the long-range contacts between different domains

From: A minimal ligand binding pocket within a network of correlated mutations identified by multiple sequence and structural analysis of G protein coupled receptors

Edge category

Subset containing RT residues

EC – TM [7]*

EC – RT[7]:

A2726.55 - S176EC2, A2726.55 - Y178EC2, A2927.39 - Y29EC (N-terminus), S186EC2 - P2917.38, E1223.37 - E196EC3, G1143.29 - S176EC2, G1143.29 - Y178EC2

TM – TM [17]

TM(not RT) – TM(not RT) [1]:

G902.57 - G1203.35

RT – TM [10]:

A1173.32 - G902.57, E1133.28 - M441.39, E1133.28 - W1263.41, H2115.46 - F912.58, E1223.37 - I481.43, E1223.37 - G902.57, E1223.37 - M2075.42, G902.57 - M2075.42, G902.57 - A2696.52, G902.57 - F2937.40

RT – RT [6]:

A1173.32 - F2937.40, A1173.32 - K2967.43, A2726.55 - G1143.29, E1133.28 - F2937.40, E1223.37 - A2696.52, E1223.37 - F2937.40

TM – IC [8]

TM(not RT) – IC [1]:

G902.57 - Q237IC3

RT – IC [7]:

A1173.32 - E247 IC3, A2726.55 - L72IC1, E1133.28 - L72IC1, H2115.46 - C140 IC2, H2115.46 - F148 IC2, E1223.37 - C316IC (C-terminus), M2075.42 - C316IC (C-terminus)

EC – IC [2]

RT – IC [2]:

 

S186EC2 - K67IC1, S186EC2 - Q244IC3

  1. *The number of edges in category is given in brackets.
  2. Categorization of edges based on the long-range contacts between the EC, IC and TM domains. The number of edges are in each category are given in brackets. There are a total of 34 edges formed by top 10 ranking residues at penalty λ = 140. There are no edges in the EC – EC and IC – IC categories. In the second column, the edges are sub-categorized to include the RT domain. Ballesteros-Weinstein numbering (superscript) is given for comparison with other GPCRs. Only long-range edges are reported. These are edges where neighbouring residues (8 amino acids on either side) are filtered out. *The number of total edges is given in brackets.