MolNFT v1 · #174995 · protein
Crystal structure of the 2-iodoporphobilinogen-bound holo form of human hydroxymethylbilane synthase
7CCY · Porphobilinogen deaminase: “Crystal structure of the 2-iodoporphobilinogen-bound holo form of human hydroxymethylbilane synthase”. X-ray diffraction, 2 ligands (DPM, FWL), 3 pockets (best druggability 0.82). MolNFT v1 #174995 on…
- PDB
- 7CCY
- Type
- protein
- Length
- 641 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Porphobilinogen deaminase
- EC
- 2.5.1.61
- UniProt
- P08397
- Ligands
- DPM, FWL
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Porphobilinogen deaminase (EC 2.5.1.61) | protein | 319 | 35% helix, 24% strand | P08397 |
| C | Porphobilinogen deaminase (EC 2.5.1.61) | protein | 322 | 36% helix, 24% strand | P08397 |
Ligands and binding sites
- DPM · 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid · ligand · 2 copies · chains A, C
- FWL · 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid · ligand · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 641 | 0.82 | 0.87 | 75 | FWL, DPM |
| 2 | 700 | 0.74 | 0.80 | 73 | empty |
| 3 | 395 | 0.66 | 0.80 | 60 | DPM |
Interfaces
1 interface between chains.
- A–C · 445 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 7CCY · Crystal structure of the 2-iodoporphobilinogen-bound holo form of human… · the same entry in another collection · chain A against A, TM-score 1.00
- P08397 · AlphaFold monomer V2.0 prediction for porphobilinogen deaminase (P08397) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P08397
- Elsewhere: RCSB PDB 7CCY · PDBe 7CCY · UniProt P08397
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