MolNFT v1 · #49985 · protein
Ligand migration and binding in the dimeric hemoglobin of scapharca inaequivalvis: structure of I25W with co
2R4Z · Globin-1: “Ligand migration and binding in the dimeric hemoglobin of scapharca inaequivalvis: structure of I25W with co”. X-ray diffraction, 3 ligands (HEM, CMO, PO4), 1 pocket (best druggability 0.86). MolNFT v1 #49985 on…
- PDB
- 2R4Z
- Type
- protein
- Length
- 291 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Globin-1
- UniProt
- P02213
- Ligands
- HEM, CMO, PO4
- Pockets
- 1 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Globin-1 | protein | 145 | 82% helix, 0% strand | P02213 |
| B | Globin-1 | protein | 146 | 79% helix, 0% strand | P02213 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- CMO · Carbon monoxide · ion · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 794 | 0.86 | 0.89 | 70 | HEM, CMO |
Interfaces
1 interface between chains.
- A–B · 961 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2R4Z · Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis… · the same entry in another collection · chain A against A, TM-score 1.00
- P02213 · AlphaFold monomer V2.0 prediction for globin-1 (P02213) · a predicted model of the same protein · chain B 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 P02213
- Elsewhere: RCSB PDB 2R4Z · PDBe 2R4Z · UniProt P02213
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