MolNFT v1 · #107787 · protein
Sirohaem decarboxylase AHBA/B - an enzyme with structural homology to the LRP/ASNC transcription factor family that is part of the alternative haem biosynthesis pathway.
4UN1 · Putative transcriptional regulator, asnc family: “Sirohaem decarboxylase AHBA/B - an enzyme with structural homology to the LRP/ASNC transcription factor…”. X-ray diffraction, 1 ligand (OBV), 6 pockets (best druggability 0.76).…
- PDB
- 4UN1
- Type
- protein
- Length
- 600 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcriptional regulator, asnc family
- UniProt
- B8J364, B8J3A4
- Ligands
- OBV
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transcriptional regulator, asnc family | protein | 145 | 43% helix, 22% strand | B8J364 |
| B | Putative transcriptional regulator, asnc family | protein | 159 | 36% helix, 26% strand | B8J3A4 |
| C | Putative transcriptional regulator, asnc family | protein | 139 | 47% helix, 25% strand | B8J364 |
| D | Putative transcriptional regulator, asnc family | protein | 157 | 38% helix, 24% strand | B8J3A4 |
Ligands and binding sites
- OBV · 12,18-didecarboxy-siroheme · ligand · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 908 | 0.76 | 0.79 | 98 | empty |
| 2 | 598 | 0.64 | 0.75 | 53 | OBV |
| 3 | 267 | 0.52 | 0.75 | 29 | OBV |
| 4 | 70 | 0.44 | 0.82 | 13 | empty |
| 5 | 67 | 0.31 | 0.75 | 20 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3265 Ų buried · 57 hydrogen bonds · protein-protein
- C–D · 3016 Ų buried · 50 hydrogen bonds · protein-protein
- B–D · 226 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 146 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 145 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4UN1 · Sirohaem decarboxylase AhbA/B - an enzyme with structural homology to the Lrp/AsnC… · the same entry in another collection · chain D against D, TM-score 1.00
- B8J364 · AlphaFold monomer V2.0 prediction for siroheme decarboxylase alpha subunit (B8J364) · a predicted model of the same protein · chain A against A, TM-score 0.95
- B8J3A4 · AlphaFold monomer V2.0 prediction for siroheme decarboxylase beta subunit (B8J3A4) · a predicted model of the same protein · chain B against A, TM-score 0.80
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 B8J364
- Every structure of UniProt B8J3A4
- Elsewhere: RCSB PDB 4UN1 · PDBe 4UN1 · UniProt B8J364 · UniProt B8J3A4
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