MolNFT v1 · #151020 · protein
Crystal structure of MSMEG_1712 from mycobacterium smegmatis
6HB0 · ABC transporter periplasmic-binding protein ytfq: “Crystal structure of MSMEG_1712 from mycobacterium smegmatis”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.55). MolNFT v1 #151020 on GenesisL1: 3D structure…
- PDB
- 6HB0
- Type
- protein
- Length
- 600 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter periplasmic-binding protein ytfq
- UniProt
- A0QT50
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter periplasmic-binding protein ytfq | protein | 302 | 43% helix, 20% strand | A0QT50 |
| B | ABC transporter periplasmic-binding protein ytfq | protein | 298 | 45% helix, 20% strand | A0QT50 |
Ligands and binding sites
- ZN · Zinc ion · metal · 18 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 292 | 0.55 | 0.76 | 33 | empty |
| 2 | 134 | 0.53 | 0.81 | 41 | empty |
| 3 | 201 | 0.50 | 0.76 | 33 | ZN |
| 4 | 102 | 0.43 | 0.78 | 17 | empty |
| 5 | 88 | 0.43 | 0.79 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1552 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6HB0 · Crystal structure of MSMEG_1712 from Mycobacterium smegmatis · 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 A0QT50
- Elsewhere: RCSB PDB 6HB0 · PDBe 6HB0 · UniProt A0QT50
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