MolNFT v1 · #73906 · protein
Crystal structure of the mycobacterium tuberculosis H37RV esxop complex (RV2346C-RV2347C)
3OGI · Putative esat-6-like protein 6: “Crystal structure of the mycobacterium tuberculosis H37RV esxop complex (RV2346C-RV2347C)”. X-ray diffraction, 4 pockets (best druggability 0.70). MolNFT v1 #73906 on GenesisL1: 3D structure, binding…
- PDB
- 3OGI
- Type
- protein
- Length
- 267 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative esat-6-like protein 6; Putative esat-6-like protein 7
- UniProt
- P95242, P95243
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 84% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative esat-6-like protein 6 | protein | 48 | 83% helix, 0% strand | P95242 |
| B | Putative esat-6-like protein 7 | protein | 89 | 81% helix, 0% strand | P95243 |
| C | Putative esat-6-like protein 6 | protein | 56 | 79% helix, 0% strand | P95242 |
| D | Putative esat-6-like protein 7 | protein | 74 | 91% helix, 0% strand | P95243 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.70 | 0.97 | 21 | empty |
| 2 | 93 | 0.46 | 0.80 | 20 | empty |
| 3 | 116 | 0.42 | 0.76 | 21 | empty |
| 4 | 50 | 0.32 | 0.77 | 13 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1090 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1083 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 349 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 310 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 306 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3OGI · Crystal structure of the Mycobacterium tuberculosis H37Rv EsxOP complex (Rv2346c-Rv2347c) · 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 P95242
- Every structure of UniProt P95243
- Elsewhere: RCSB PDB 3OGI · PDBe 3OGI · UniProt P95242 · UniProt P95243
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