MolNFT v1 · #139522 · protein
Crystal structure of hasap with fe-5,10,15-triphenylporphyrin
5XIC · Heme acquisition protein hasap: “Crystal structure of hasap with fe-5,10,15-triphenylporphyrin”. X-ray diffraction, 1 ligand (WXP), 6 pockets (best druggability 0.78). MolNFT v1 #139522 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5XIC
- Type
- protein
- Length
- 736 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme acquisition protein hasap
- UniProt
- G3XD33
- Ligands
- WXP
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Heme acquisition protein hasap | protein | 184 | 32% helix, 37% strand | G3XD33 |
Ligands and binding sites
- WXP · 5,10,15-Triphenylporphyrin cpntaining FE · ligand · 4 copies · chains A, B, C, D
- PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol · additive · 4 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 | 1130 | 0.78 | 0.80 | 108 | PE8 |
| 2 | 959 | 0.76 | 0.79 | 81 | PE8 |
| 3 | 121 | 0.51 | 0.80 | 20 | WXP |
| 4 | 123 | 0.49 | 0.79 | 22 | WXP |
| 5 | 121 | 0.48 | 0.79 | 20 | WXP |
Interfaces
3 interfaces between chains.
- A–C · 538 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 401 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 395 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5XIC · Crystal Structure of HasAp with Fe-5,10,15-triphenylporphyrin · 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 G3XD33
- Elsewhere: RCSB PDB 5XIC · PDBe 5XIC · UniProt G3XD33
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