MolNFT v1 · #121956 · protein
Mechanistic and structural analysis of substrate recognition and cofactor binding by an unusual bacterial prolyl hydroxylase - co- BAP4H-mli
5IAV · Procollagen-proline dioxygenase: “Mechanistic and structural analysis of substrate recognition and cofactor binding by an unusual bacterial…”. X-ray diffraction, 1 ligand (CO), 5 pockets (best druggability 0.63). MolNFT v1 #121956…
- PDB
- 5IAV
- Type
- protein
- Length
- 390 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Procollagen-proline dioxygenase
- UniProt
- A0A0F7R8C5
- Ligands
- CO
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Procollagen-proline dioxygenase | protein | 196 | 20% helix, 35% strand | A0A0F7R8C5 |
| B | Procollagen-proline dioxygenase | protein | 194 | 20% helix, 35% strand | A0A0F7R8C5 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · 2 copies · chains A, B
- MLI · Malonate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.63 | 0.88 | 23 | MLI |
| 2 | 91 | 0.55 | 0.85 | 20 | MLI |
| 3 | 132 | 0.42 | 0.76 | 26 | empty |
| 4 | 61 | 0.26 | 0.72 | 19 | empty |
| 5 | 56 | 0.26 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1134 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 5IAV · Mechanistic and Structural Analysis of Substrate Recognition and Cofactor Binding by an… · 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 A0A0F7R8C5
- Elsewhere: RCSB PDB 5IAV · PDBe 5IAV · UniProt A0A0F7R8C5
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