3gj2

PDB 3gj2 P4-M1-W(タンパク質4、金属1、結晶水)
Photoactivated state of PA-GFP

H原子付加で、tplgeneX が以下のエラー

ERROR> checkResInfo
Unknown residue found.
Please check coordinate file.
RES:CRO , CHAIN:A, RES_NUM:65

タンパク質の以下の部分が tplgeneX の DB (AMBER f99) で未対応のため

HETATM 466 N1 CRO A 65 14.957 47.507 146.003 1.00 14.24 N
HETATM 467 CA1 CRO A 65 15.869 48.426 146.715 1.00 16.38 C
HETATM 468 CB1 CRO A 65 17.065 47.615 147.104 1.00 13.01 C
HETATM 469 OG1 CRO A 65 17.928 48.278 148.018 1.00 17.39 O
HETATM 470 C1 CRO A 65 16.200 49.357 145.581 1.00 11.90 C
HETATM 471 N2 CRO A 65 17.264 49.247 144.796 1.00 12.01 N
HETATM 472 N3 CRO A 65 15.345 50.389 145.223 1.00 13.09 N
HETATM 473 C2 CRO A 65 15.917 51.015 144.244 1.00 9.46 C
HETATM 474 O2 CRO A 65 15.433 51.963 143.491 1.00 13.94 O
HETATM 475 CA2 CRO A 65 17.104 50.222 143.881 1.00 11.37 C
HETATM 476 CA3 CRO A 65 14.063 50.669 145.861 1.00 12.07 C
HETATM 477 C3 CRO A 65 13.881 51.869 146.665 1.00 9.51 C
HETATM 478 O3 CRO A 65 12.702 52.290 146.796 1.00 16.27 O
HETATM 479 CB2 CRO A 65 17.984 50.559 142.759 1.00 11.49 C
HETATM 480 CG2 CRO A 65 19.192 49.882 142.289 1.00 12.24 C
HETATM 481 CD1 CRO A 65 19.694 48.696 142.859 1.00 9.78 C
HETATM 482 CD2 CRO A 65 19.713 50.426 141.096 1.00 11.78 C
HETATM 483 CE1 CRO A 65 20.812 48.104 142.222 1.00 8.92 C
HETATM 484 CE2 CRO A 65 20.838 49.897 140.523 1.00 11.79 C
HETATM 485 CZ CRO A 65 21.389 48.746 141.110 1.00 11.35 C
HETATM 486 OH CRO A 65 22.495 48.207 140.614 1.00 12.65 O