MolNFT v1 · #180089 · protein
1.83 ångströms resolution crystal structure of putative pterin binding protein prur (ATU3496) from agrobacterium fabrum str. C58
7KOU: “1.83 ångströms resolution crystal structure of putative pterin binding protein prur (ATU3496) from…”. X-ray diffraction, 2 ligands (NA, CL), 2 pockets (best druggability 0.46). MolNFT v1 #180089 on GenesisL1: 3D structure, binding…
- PDB
- 7KOU
- Type
- protein
- Length
- 586 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pterin binding protein
- UniProt
- A9CFB2
- Ligands
- NA, CL
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Pterin binding protein | protein | 147 | 24% helix, 35% strand | A9CFB2 |
| B, C | Pterin binding protein | protein | 146 | 24% helix, 35% strand | A9CFB2 |
Ligands and binding sites
- NA · Sodium ion · metal · 10 copies · chains A, D, B, C
- CL · Chloride ion · ion · 2 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 2 copies · chains C, D
- PEG · Di(hydroxyethyl)ether · additive
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 190 | 0.46 | 0.75 | 33 | NA |
| 2 | 119 | 0.40 | 0.75 | 22 | empty |
Interfaces
4 interfaces between chains.
- A–D · 720 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 683 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 497 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 474 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7KOU · 1.83 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR… · 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 A9CFB2
- Elsewhere: RCSB PDB 7KOU · PDBe 7KOU · UniProt A9CFB2
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