TABLE 7.
Electrostatic contacts in Brownian dynamics complexes formed between Phormidium cyt f and Phormidium PC
| Specific contacts*
|
No. of complexes | Distance between charged pairs (Å)† | ||
|---|---|---|---|---|
| Condition | Cyt f | PC | ||
| −Zn2+ | ||||
| D63 | K35(33) | 6 | 11.1 | |
| D188 | K35(33) | 7 | 10.8 | |
| Heme | K35(33) | 7 | 13.4 | |
| +Zn2+ | ||||
| E86 | D45(43) | 5 | 12.7 | |
| K46(44) | 6 | 11.7 | ||
| K53(51) | 6 | 9.5 | ||
| D57(55) | 5 | 12.4 | ||
| Zn2+ | 9 | 12.1 | ||
| E95 | D45(43) | 5 | 12.2 | |
| K46(44) | 5 | 10.8 | ||
| Zn2+ | 5 | 11.4 | ||
| E123 | R93(88) | 6 | 7.2 | |
| D188 | K35(33) | 5 | 10.4 | |
*
Taken from the list of the 15 closest electrostatic contacts for 10 complexes chosen at random as described in the Methods section. Only those contacts that were found in at least 5 out of 10 complexes for at least one condition (minus Zn2+ or plus Zn2+) were chosen.
†
Calculated for the number of complexes listed as described in the Methods section.