Research workbench
An inward-facing conformation of a putative metal-chelate type ABC transporter.
Analyse An inward-facing conformation of a putative metal-chelate type ABC transporter. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2NQ2
- Type
- protein
- Length
- 1,107 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical ABC transporter permease protein HI1471; Hypothetical ABC transporter…
- UniProt
- Q57130, Q57399
- Pockets
- 17 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 57% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical ABC transporter permease protein HI1471 | protein | 308 | 74% helix, 0% strand | Q57130 |
| C | Hypothetical ABC transporter ATP-binding protein HI1470 | protein | 251 | 36% helix, 31% strand | Q57399 |
| B | Hypothetical ABC transporter permease protein HI1471 | protein | 300 | 74% helix, 1% strand | Q57130 |
| D | Hypothetical ABC transporter ATP-binding protein HI1470 | protein | 248 | 37% helix, 27% strand | Q57399 |
Pockets
17 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 577 | 0.79 | 0.85 | 71 | empty |
| 2 | 689 | 0.77 | 0.82 | 56 | empty |
| 3 | 158 | 0.46 | 0.76 | 28 | empty |
| 4 | 118 | 0.46 | 0.78 | 19 | empty |
| 5 | 125 | 0.43 | 0.77 | 19 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1609 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1497 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 1268 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 1254 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 2NQ2 · An inward-facing conformation of a putative metal-chelate type ABC transporter. · the same entry in another collection · chain D against D, TM-score 1.00
- Q57399 · AlphaFold monomer V2.0 prediction for molybdate import ATP-binding protein molc (Q57399) · a predicted model of the same protein · chain D against A, TM-score 0.99
- Q57130 · AlphaFold monomer V2.0 prediction for molybdate import system permease protein molb… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q57130
- Every structure of UniProt Q57399
- Elsewhere: RCSB PDB 2NQ2 · PDBe 2NQ2 · UniProt Q57130 · UniProt Q57399
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