5ULT
HIV-1 wild Type protease with GRL-100-13A (a Crown-like Oxotricyclic Core as the P2-Ligand with the sulfonamide isostere as the P2' group)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Protease | polymer | 99 | 10740.7 | 2 | UniProt (C8B467) Pfam (PF00077) UniProt (by SIFTS) (P03366) In PDB | Human immunodeficiency virus 1 | |
2 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
4 | B | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | non-polymer | 588.7 | 1 | Chemie (8FM) | |||
5 | water | water | 18.0 | 115 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: C8B467)
PDB | External Database | Details |
---|---|---|
Lys 7 | Gln 7 | engineered mutation |
Ile 33 | Leu 33 | engineered mutation |
Ile 63 | Leu 63 | engineered mutation |
Ala 67 | Cys 67 | engineered mutation |
Ala 95 | Cys 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 21481.4 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 682.6 | |
All* | Total formula weight | 22164.0 |