Research workbench
X-ray crystal structure of cyclophilin A/HIV-1 ca N-terminal domain (1-146) O-type chimera complex.
Analyse X-ray crystal structure of cyclophilin A/HIV-1 ca N-terminal domain (1-146)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1M9D
- Type
- protein
- Length
- 620 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclophilin a; HIV-1 capsid
- EC
- 5.2.1.8
- UniProt
- P62937, Q72497
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclophilin a (EC 5.2.1.8) | protein | 165 | 14% helix, 30% strand | P62937 |
| B | Cyclophilin a (EC 5.2.1.8) | protein | 163 | 14% helix, 33% strand | P62937 |
| C, D | HIV-1 capsid | protein | 146 | 57% helix, 4% strand | Q72497 |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1155 | 0.74 | 0.77 | 78 | empty |
| 2 | 59 | 0.70 | 0.96 | 14 | empty |
| 3 | 284 | 0.52 | 0.74 | 43 | empty |
Interfaces
3 interfaces between chains.
- B–C · 443 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 430 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 399 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1M9D · X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) O-type… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P62937
- Every structure of UniProt Q72497
- Elsewhere: RCSB PDB 1M9D · PDBe 1M9D · UniProt P62937 · UniProt Q72497
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