MolNFT v1 · #119246 · protein
Crystal structure of the suscd complex BT2261-2264 from bacteroides thetaiotaomicron
5FQ7 · BT_2263: “Crystal structure of the suscd complex BT2261-2264 from bacteroides thetaiotaomicron”. X-ray diffraction, 2 ligands (NA, MG), 20 pockets (best druggability 0.88). MolNFT v1 #119246 on GenesisL1: 3D structure, binding sites…
- PDB
- 5FQ7
- Type
- protein
- Length
- 3,329 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BT_2263; BT_2264; BT_2261; BT_2262; Peptide
- UniProt
- Q8A5H6, Q8A5H5, Q8A5H8, Q8A5H7
- Ligands
- NA, MG
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 7 distinct chains · 16% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | BT_2263 | protein | 480 | 50% helix, 5% strand | Q8A5H6 |
| B | BT_2264 | protein | 943 | 10% helix, 49% strand | Q8A5H5 |
| D | BT_2264 | protein | 943 | 9% helix, 48% strand | Q8A5H5 |
| E, F | BT_2261 | protein | 145 | 4% helix, 50% strand | Q8A5H8 |
| G | BT_2262 | protein | 84 | 4% helix, 45% strand | Q8A5H7 |
| H | BT_2262 | protein | 89 | 3% helix, 51% strand | Q8A5H7 |
| I, P | Peptide | protein | 10 | 0% helix, 10% strand | — |
Ligands and binding sites
- NA · Sodium ion · metal · 6 copies · chains A, B, F, C, D, E
- MG · Magnesium ion · metal · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 844 | 0.88 | 0.90 | 103 | empty |
| 2 | 705 | 0.86 | 0.90 | 78 | empty |
| 3 | 212 | 0.83 | 0.97 | 44 | empty |
| 4 | 204 | 0.82 | 0.97 | 40 | empty |
| 5 | 179 | 0.81 | 0.97 | 38 | empty |
Interfaces
15 interfaces between chains.
- C–D · 4099 Ų buried · 56 hydrogen bonds · protein-protein
- A–B · 4097 Ų buried · 54 hydrogen bonds · protein-protein
- B–D · 2982 Ų buried · 43 hydrogen bonds · protein-protein
- B–F · 1194 Ų buried · 21 hydrogen bonds · protein-protein
- D–E · 1172 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 5FQ7 · Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron · 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 Q8A5H6
- Every structure of UniProt Q8A5H5
- Every structure of UniProt Q8A5H8
- Every structure of UniProt Q8A5H7
- Elsewhere: RCSB PDB 5FQ7 · PDBe 5FQ7 · UniProt Q8A5H6 · UniProt Q8A5H5 · UniProt Q8A5H8 · UniProt Q8A5H7
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