MolNFT v1 · #59855 · protein
Crystal structure of mycobacterium tuberculosis RV3778C protein
3CAI · Possible aminotransferase: “Crystal structure of mycobacterium tuberculosis RV3778C protein”. X-ray diffraction, 5 pockets (best druggability 0.83). MolNFT v1 #59855 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3CAI
- Type
- protein
- Length
- 792 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible aminotransferase
- EC
- 2.6.1.-
- UniProt
- P72044
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Possible aminotransferase (EC 2.6.1.-) | protein | 396 | 45% helix, 16% strand | P72044 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 944 | 0.83 | 0.85 | 98 | empty |
| 2 | 963 | 0.83 | 0.84 | 97 | empty |
| 3 | 141 | 0.78 | 0.96 | 38 | empty |
| 4 | 190 | 0.50 | 0.77 | 39 | empty |
| 5 | 87 | 0.42 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2253 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3CAI · Crystal structure of Mycobacterium tuberculosis Rv3778c protein · 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 P72044
- Elsewhere: RCSB PDB 3CAI · PDBe 3CAI · UniProt P72044
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