Table 1.
gp120 Residues within 5.0 Å of Cavity Binding Ligands
| Domain | GPO3-NBD- 556 | GCD3 Biphenyl | GCD2 Phe 43 | GPO3 GNM Profile | GPO3 residue CP < 0.20 |
|---|---|---|---|---|---|
| Inner | H105 | Min. | |||
| Inner | W112 | W112 | |||
| Inner | V255 | V255 | Min. | ||
| Outer | S256 | S256 | Min. | L260, S375 I371, H374 S375, |
|
| Outer | T257 | T257 | T257 | Min. | F376 |
| Outer | D368 | D368 | D368 | ||
| Outer | E370 | E370 | E370 | Min. | |
| Outer | I371 | I371 | I371 | Min. | H374 F382,F383,Y384, |
| Outer | S375 | S375 | Min. | C385 | |
| Outer | F376 | F376 | Min. | F382, F383, Y384 | |
| Outer | N377 | N377 | Min. | F382, F383 | |
| Outer | F382 | F382 | |||
| Outer | Y384 | Y384 | |||
| Bridging Sheet | I424 | I424 | Max. | C418, I420 | |
| Bridging Sheet | N425 | N425 | N425 | Max. | |
| Bridging Sheet | M426 | M426 | M426 | Max. | |
| Bridging Sheet | W427 | W427 | W427 | Max. | |
| Bridging Sheet | N428 | Max. | |||
| Bridging Sheet | E429 | Max. | |||
| Bridging Sheet | V430 | Max. | |||
| Bridging Sheet | G431 | Max. | |||
| Outer Domain | G472 | Max. | |||
| Outer Domain | G473 | G473 | G473 | Min. | |
| Outer Domain | D474 | D474 | D474 | Min. | |
| Inner Doman | M475 | M475 | M475 | Min. | |
Residues conserved in all primates viruses, all human viruses and moderately in human viruses are indicated in bold, underlined and italic fonts, respectively. Residues with Gaussian Network Model calculated slow mode maximum and minimum as well as residues pairs with efficient communication propensity (CP <0.20) are also listed.