4Q1X
Mutations Outside the Active Site of HIV-1 Protease Alter Enzyme Structure and Dynamic Ensemble of the Active Site to Confer Drug Resistance
GO（遺伝子オントロジー）由来の情報
PDBデータベースに由来する情報
| site_id | AC1 |
| 残基数 | 17 |
| 詳細 | BINDING SITE FOR RESIDUE 017 A 101 |
| 鎖名 | 残基 |
| A | ASP25 |
| B | ASP25 |
| B | GLY27 |
| B | ALA28 |
| B | ASP30 |
| B | GLY48 |
| B | GLY49 |
| B | ILE50 |
| B | VAL82 |
| A | GLY27 |
| A | ALA28 |
| A | ASP29 |
| A | ASP30 |
| A | GLY48 |
| A | ILE50 |
| A | HOH204 |
| A | HOH235 |
| site_id | AC2 |
| 残基数 | 3 |
| 詳細 | BINDING SITE FOR RESIDUE GOL A 102 |
| 鎖名 | 残基 |
| A | ASP29 |
| A | ARG87 |
| B | ARG8 |
| site_id | AC3 |
| 残基数 | 8 |
| 詳細 | BINDING SITE FOR RESIDUE PO4 B 101 |
| 鎖名 | 残基 |
| A | ARG14 |
| A | GLY16 |
| A | GLY17 |
| B | GLY16 |
| B | HOH210 |
| B | HOH231 |
| B | HOH232 |
| B | HOH233 |
UniProtにおけるモチーフ・データベースPROSITEからの機能情報
| site_id | PS00141 |
| 残基数 | 12 |
| 詳細 | ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTIL |
| 鎖名 | 残基 | 詳細 |
| A | ALA22-LEU33 |
SwissProt/UniProtに記載されている蛋白質分子機能情報
| site_id | SWS_FT_FI1 |
| 残基数 | 2 |
| 詳細 | ACT_SITE: For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094, ECO:0000305|PubMed:33542150 |
| 鎖名 | 残基 | 詳細 |
| A | ASP25 | |
| B | ASP25 |
| site_id | SWS_FT_FI2 |
| 残基数 | 2 |
| 詳細 | SITE: Cleavage; by viral protease => ECO:0000250 |
| 鎖名 | 残基 | 詳細 |
| A | PHE99 | |
| B | PHE99 |
CSAにおける酵素触媒機能の情報
| site_id | MCSA1 |
| 残基数 | 3 |
| 詳細 | M-CSA 175 |
| 鎖名 | 残基 | 詳細 |
| A | ASP25 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | THR26 | electrostatic stabiliser, transition state stabiliser |
| A | GLY27 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| 残基数 | 3 |
| 詳細 | M-CSA 175 |
| 鎖名 | 残基 | 詳細 |
| B | ASP25 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | THR26 | electrostatic stabiliser, transition state stabiliser |
| B | GLY27 | electrostatic stabiliser, hydrogen bond donor |
