MolNFT v1 · #106386 · protein
Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from mannheimia haemolytica PHL213, target efi-511105, in complex with myo-inositol
4RXM · Possible sugar ABC superfamily ATP binding cassette…: “Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from mannheimia haemolytica…”. X-ray diffraction, 4 ligands (INS, ASP, BGC), 4 pockets (best…
- PDB
- 4RXM
- Type
- protein
- Length
- 579 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible sugar ABC superfamily ATP binding cassette transporter, binding protein
- UniProt
- A7JW62
- Ligands
- INS, ASP, BGC, CL
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible sugar ABC superfamily ATP binding cassette transporter, binding protein | protein | 291 | 46% helix, 19% strand | A7JW62 |
| B | Possible sugar ABC superfamily ATP binding cassette transporter, binding protein | protein | 288 | 46% helix, 19% strand | A7JW62 |
Ligands and binding sites
- INS · 1,2,3,4,5,6-hexahydroxy-cyclohexane · ligand · 2 copies · chains A, B
- ASP · Aspartic acid · ligand · chains A, B
- BGC · beta-D-glucopyranose · sugar · chains A, B
- CL · Chloride ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 734 | 0.77 | 0.82 | 87 | INS |
| 2 | 124 | 0.48 | 0.79 | 29 | empty |
| 3 | 145 | 0.45 | 0.76 | 27 | CL, ASP |
| 4 | 61 | 0.29 | 0.74 | 12 | BGC |
Interfaces
1 interface between chains.
- A–B · 1022 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4RXM · Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from… · the same entry in another collection · chain B against B, 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 A7JW62
- Elsewhere: RCSB PDB 4RXM · PDBe 4RXM · UniProt A7JW62
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