Research workbench
X-ray structure of the bacterial heme transporter hmuuv from yersinia pestis
Analyse X-ray structure of the bacterial heme transporter hmuuv from yersinia pestis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4G1U
- Type
- protein
- Length
- 1,113 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemin transport system permease protein hmuu; Hemin import ATP-binding protein hmuv
- EC
- 3.6.3.-
- UniProt
- Q56992, Q56993
- Ligands
- PO4
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hemin transport system permease protein hmuu | protein | 297 | 77% helix, 0% strand | Q56992 |
| C | Hemin import ATP-binding protein hmuv (EC 3.6.3.-) | protein | 262 | 34% helix, 28% strand | Q56993 |
| D | Hemin import ATP-binding protein hmuv (EC 3.6.3.-) | protein | 257 | 34% helix, 28% strand | Q56993 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1167 | 0.82 | 0.83 | 68 | empty |
| 2 | 934 | 0.80 | 0.82 | 62 | empty |
| 3 | 138 | 0.52 | 0.80 | 17 | empty |
| 4 | 156 | 0.51 | 0.78 | 19 | empty |
| 5 | 181 | 0.47 | 0.76 | 30 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1629 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 1251 Ų buried · 25 hydrogen bonds · protein-protein
- A–D · 1146 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 1138 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4G1U · X-ray structure of the bacterial heme transporter HmuUV from Yersinia pestis · the same entry in another collection · chain A against A, TM-score 1.00
- Q56992 · AlphaFold monomer V2.0 prediction for hemin transport system permease protein hmuu… · a predicted model of the same protein · chain A against A, TM-score 0.97
- Q56993 · AlphaFold monomer V2.0 prediction for hemin import ATP-binding protein hmuv (Q56993) · a predicted model of the same protein · chain D against A, TM-score 0.96
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 Q56992
- Every structure of UniProt Q56993
- Elsewhere: RCSB PDB 4G1U · PDBe 4G1U · UniProt Q56992 · UniProt Q56993
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