6F6N
CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Envelope glycoprotein,Envelope glycoprotein,GP1 | polymer | 330 | 36302.7 | 1 | UniProt (Q05320) Pfam (PF01611) | Zaire ebolavirus (strain Mayinga-76) (ZEBOV) | GP1,2,GP,GP1,2,GP |
| 2 | B (B) | Envelope glycoprotein | polymer | 168 | 18922.3 | 1 | UniProt (A0A0U3BWW0) Pfam (PF22307) UniProt (by SIFTS) (Q05320) | Ebola virus | |
| 3 | C (C) | alpha-D-mannopyranose-(1-3)-[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 | 910.8 | 1 | In PDB GlyTouCan (G22768VO) | |||
| 4 | D, E, F, G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 5 | H, I, J, M, N (A, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 6 | K (A) | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine | non-polymer | 306.2 | 1 | Chemie (SRE) | |||
| 7 | L (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 8 | O, P (A, B) | water | water | 18.0 | 130 | Chemie (HOH) |
Sequence modifications
A: 32 - 432 (UniProt: Q05320)
A: 433 - 470 (UniProt: Q05320)
A: 471 - 477 (PDB: 6F6N)
B: 502 - 632 (UniProt: A0A0U3BWW0)
| 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 |
A: 471 - 477 (PDB: 6F6N)
B: 502 - 632 (UniProt: A0A0U3BWW0)
| 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 | 55225.0 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 910.8 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1729.7 | |
| All* | Total formula weight | 57865.5 |
