Table 3.
Hydrogen bonds and C–C contacts between Ghcol and Gly-Pro-Hyp
| Gly-Pro-Hyp |
Protein atom | Chain A |
Chain B |
|||
|---|---|---|---|---|---|---|
| Chain | Atom | H-bond (Å) | Residues with C–C contact | H-bond (Å) | Residues with C–C contact | |
| C/G | Gly1 | Met458, Tyr459, Leu460, Phe508 | Tyr459, Leu460, Phe508 | |||
| O Pro2 | N Tyr459 | 3.1 | Tyr459, His496, Phe508 | 3.0 | Tyr459, His496, Phe508 | |
| O Hyp3 | OH Tyr564 | 2.4 | Asn455, Glu520, Tyr555, Phe558 | 3.1 | Asn455, Met458, Tyr555, Phe558 | |
| O Hyp3 | OE2 Glu520 | 3.0 | 3.8 | |||
| OXT Hyp3 | OE1 Glu493 | 2.9 | 3.5 | |||
| OXT Hyp3 | OE2 Glu493 | 3.2 | 3.2 | |||
| OXT Hyp3 | O Gly457 | 3.3 | 3.6 | |||
| OXT Hyp3 | Zn | 2.8 | 2.6 | |||
| O Hyp3 | Zn | 2.5 | 3.2 | |||
| D/H | N Gly1 | O Gly457 | 2.8 | Asn489, Gly456, Tyr564, His492 | 2.9 | Asn489, Tyr564, Gly456, His492 |
| OE2 Glu493 | 2.9 | 2.7 | ||||
| O Gly1 | N Gly456 | 3.0 | 2.9 | |||
| O Pro2 | NE1 Trp488 | 3.0 | Tyr564, Gly456, Val560, Tyr564 | 3.0 | Tyr564, Gly456, Tyr564, His492 | |
| ND2 Asn489 | 3.0 | Hi492, Glu524, Asn489 | 2.9 | Asn489 | ||
| OXT Hyp3 | NE1 Trp488 | 3.3 | Gly456, Trp488, Phe558, Asn455 | 3.2 | Gly456, Trp488, Phe558 | |
| OXT Hyp3 | HOH20 | 2.6 | Val560 | |||
| HOH20 | OH Tyr476 | 2.6 | ||||
| HOH20 | OH Tyr480 | 2.7 | ||||
| E/I | Gly1 | Phe174 | Phe174 | |||
| Pro2 | Tyr170, Ser222, Tyr171, Phe174 | Tyr170, Tyr171, Phe174 | ||||
| O Hyp3 | NH1 Arg167 | 3.0 | Tyr171, Ile218, Asp221, Ser222 | 3.2 | Tyr171, Ile218, Ser222 | |
| OD1 Hyp3 | OD2 Asp221 | 3.2 | 2.9 | |||
| O Gly4 | NH1 Arg167 | 2.8 | Phe121, Tyr171, Arg167 | 3.0 | Phe121, Tyr171 | |
| O Gly4 | NH2 Arg167 | 3.1 | 3.1 | |||
| Pro5 | Phe121, Asn118 | Phe121, Asn118 | ||||
| OD1 Hyp6 | OE2 Glu215 | 2.6 | Leu164, Asn118 | 2.7 | Leu164, Asn118 | |
| NH2 Arg167 | 3.1 | 3.2 | ||||
| F/J | Gly1 | Tyr354 | Tyr354 | |||
| Pro2 | Tyr354 | Tyr354 | ||||
| O Hyp3 | NH1 Arg311 | 3.4 | Thr351, Asp350, Tyr354, Tyr355 | 2.8 | Thr351, Asp350, Tyr354, Tyr355 | |
| OD1 Hyp3 | OD1 Asp350 | 2.7 | 3.2 | |||
| O Gly4 | NH2 Arg311 | 3.5 | Phe262 | 3.1 | Phe262 | |
| Pro5 | Phe262 | Phe262 | ||||
| OD1 Hyp6 | OE2 Glu308 | 2.5 | Phe258, Phe262, Asn304, Glu308 | 2.4 | Phe258, Phe262, Asn304, Glu308 | |
| Thr259 | ||||||
Chain A and B designate Ghcol of the Gly-Pro-Hyp-bound Ghcol. Chain C and G designate the one of the two Gly-Pro-Hyp molecules bound at the active site of Ghcol in chain A and B, respectively. Chain D and H designate the other one bound at the active site of Ghcol in chain A and B, respectively. Chain E and I designate two Gly-Pro-Hyp molecules bound at Act 1 of Ghcol in chain A and B, respectively. Chain F and J designate those at Act 2 of Ghcol in chain A and B, respectively.