MolNFT v1 · #153369 · protein
Crystal structure of aminotransferase crmg from actinoalloteichus sp. WH1-2216-6 in C2 space group
6JCB: “Crystal structure of aminotransferase crmg from actinoalloteichus sp. WH1-2216-6 in C2 space group”. X-ray diffraction, 13 pockets (best druggability 0.81). MolNFT v1 #153369 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6JCB
- Type
- protein
- Length
- 1,945 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crmg
- UniProt
- H8Y6N2
- Pockets
- 13 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Crmg | protein | 486 | 45% helix, 20% strand | H8Y6N2 |
| C | Crmg | protein | 487 | 45% helix, 20% strand | H8Y6N2 |
| B | Crmg | protein | 483 | 45% helix, 20% strand | H8Y6N2 |
| D | Crmg | protein | 489 | 46% helix, 20% strand | H8Y6N2 |
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.81 | 0.82 | 118 | empty |
| 2 | 901 | 0.76 | 0.79 | 86 | empty |
| 3 | 805 | 0.74 | 0.79 | 69 | empty |
| 4 | 541 | 0.69 | 0.79 | 58 | empty |
| 5 | 478 | 0.68 | 0.79 | 54 | empty |
Interfaces
6 interfaces between chains.
- C–D · 3516 Ų buried · 55 hydrogen bonds · protein-protein
- A–B · 3491 Ų buried · 51 hydrogen bonds · protein-protein
- C–B · 390 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 269 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 120 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6JCB · Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in C2… · the same entry in another collection · chain D against D, 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 H8Y6N2
- Elsewhere: RCSB PDB 6JCB · PDBe 6JCB · UniProt H8Y6N2
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