7M2D
Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0074953
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | GP1 | polymer | 290 | 32224.2 | 1 | UniProt (Q05320) Pfam (PF01611) | Zaire ebolavirus (ZEBOV Zaire Ebola virus) | |
| 2 | B (B) | GP2 | polymer | 168 | 18922.3 | 1 | UniProt (Q05320) Pfam (PF22307) | Zaire ebolavirus (ZEBOV Zaire Ebola virus) | |
| 3 | C (C) | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 1 | In PDB GlyTouCan (G22573RC) | |||
| 4 | D, E, F, G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 5 | H (A) | (1R,3S,5R,7R)-N-[(1r,4R)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide | non-polymer | 410.6 | 1 | Chemie (YPS) | |||
| 6 | I, J (A, B) | water | water | 18.0 | 85 | Chemie (HOH) |
Sequence modifications
A: 32 - 477 (UniProt: Q05320)
B: 502 - 632 (UniProt: Q05320)
| PDB | External Database | Details |
|---|---|---|
| Glu 28 | - | expression tag |
| Thr 29 | - | expression tag |
| Gly 30 | - | expression tag |
| Arg 31 | - | expression tag |
| Ala 42 | Thr 42 | engineered mutation |
| Unk 473 | Asn 313 | conflict |
| Unk 474 | Gly 314 | conflict |
| Unk 475 | Ala 315 | conflict |
| Unk 476 | Lys 316 | conflict |
| Unk 477 | Asn 317 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Ala 613 | His 613 | engineered mutation |
| Gly 633 | - | expression tag |
| Ser 634 | - | expression tag |
| Gly 635 | - | expression tag |
| Tyr 636 | - | expression tag |
| Ile 637 | - | expression tag |
| Pro 638 | - | expression tag |
| Glu 639 | - | expression tag |
| Ala 640 | - | expression tag |
| Pro 641 | - | expression tag |
| Arg 642 | - | expression tag |
| Asp 643 | - | expression tag |
| Gly 644 | - | expression tag |
| Gln 645 | - | expression tag |
| Ala 646 | - | expression tag |
| Tyr 647 | - | expression tag |
| Val 648 | - | expression tag |
| Arg 649 | - | expression tag |
| Lys 650 | - | expression tag |
| Asp 651 | - | expression tag |
| Gly 652 | - | expression tag |
| Glu 653 | - | expression tag |
| Trp 654 | - | expression tag |
| Val 655 | - | expression tag |
| Leu 656 | - | expression tag |
| Leu 657 | - | expression tag |
| Ser 658 | - | expression tag |
| Thr 659 | - | expression tag |
| Phe 660 | - | expression tag |
| Leu 661 | - | expression tag |
| Gly 662 | - | expression tag |
| Thr 663 | - | expression tag |
| His 664 | - | expression tag |
| His 665 | - | expression tag |
| His 666 | - | expression tag |
| His 667 | - | expression tag |
| His 668 | - | expression tag |
| His 669 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51146.5 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 748.7 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1295.4 | |
| All* | Total formula weight | 53190.6 |
