MolNFT v1 · #114199 · protein
Inward-facing conformation of ABC heme importer bhuuv from burkholderia cenocepacia
5B57 · Putative hemin ABC transport system, membrane protein: “Inward-facing conformation of ABC heme importer bhuuv from burkholderia cenocepacia”. X-ray diffraction, 1 ligand (SO4), 17 pockets (best druggability 0.77). MolNFT v1 #114199…
- PDB
- 5B57
- Type
- protein
- Length
- 1,170 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative hemin ABC transport system, membrane protein; Hemin import ATP-binding protein…
- EC
- 3.6.3.-
- UniProt
- B4EKB4, B4EKB5
- Ligands
- SO4
- Pockets
- 17 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 60% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative hemin ABC transport system, membrane protein | protein | 330 | 77% helix, 1% strand | B4EKB4 |
| B | Putative hemin ABC transport system, membrane protein | protein | 328 | 78% helix, 0% strand | B4EKB4 |
| C | Hemin import ATP-binding protein hmuv (EC 3.6.3.-) | protein | 260 | 38% helix, 25% strand | B4EKB5 |
| D | Hemin import ATP-binding protein hmuv (EC 3.6.3.-) | protein | 252 | 36% helix, 25% strand | B4EKB5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains C, D
- DMU · Decyl-beta-D-maltopyranoside · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 354 | 0.77 | 0.87 | 57 | empty |
| 2 | 998 | 0.75 | 0.77 | 83 | empty |
| 3 | 174 | 0.65 | 0.85 | 26 | empty |
| 4 | 190 | 0.61 | 0.83 | 27 | empty |
| 5 | 106 | 0.50 | 0.81 | 25 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1757 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 1315 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 1260 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 925 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5B57 · Inward-facing conformation of ABC heme importer BhuUV from Burkholderia cenocepacia · 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 B4EKB4
- Every structure of UniProt B4EKB5
- Elsewhere: RCSB PDB 5B57 · PDBe 5B57 · UniProt B4EKB4 · UniProt B4EKB5
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