MolNFT v1 · #172910 · protein
Crystal structure of mce domain of MCE4A from mycobacterium tuberculosis H37RV
7AI3 · Mce-family protein MCE4A: “Crystal structure of mce domain of MCE4A from mycobacterium tuberculosis H37RV”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #172910 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7AI3
- Type
- protein
- Length
- 440 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mce-family protein MCE4A
- UniProt
- I6YC99
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mce-family protein MCE4A | protein | 107 | 6% helix, 54% strand | I6YC99 |
| B, C | Mce-family protein MCE4A | protein | 113 | 3% helix, 52% strand | I6YC99 |
| D | Mce-family protein MCE4A | protein | 107 | 7% helix, 57% strand | I6YC99 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 417 | 0.60 | 0.75 | 59 | empty |
| 2 | 298 | 0.56 | 0.76 | 34 | empty |
| 3 | 58 | 0.26 | 0.72 | 14 | empty |
Interfaces
6 interfaces between chains.
- C–D · 3969 Ų buried · 88 hydrogen bonds · protein-protein
- A–B · 3942 Ų buried · 82 hydrogen bonds · protein-protein
- B–C · 561 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 509 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 406 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7AI3 · Crystal structure of MCE domain of Mce4A from Mycobacterium tuberculosis H37Rv · 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 I6YC99
- Elsewhere: RCSB PDB 7AI3 · PDBe 7AI3 · UniProt I6YC99
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