Research workbench
Crystal structures of leishmania mexicana phosphoglycerate mutase at high cobalt concentrations
Analyse Crystal structures of leishmania mexicana phosphoglycerate mutase at high… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IGY
- Type
- protein
- Length
- 549 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cofactor-independent phosphoglycerate mutase
- EC
- 5.4.2.1
- UniProt
- Q86N96
- Ligands
- 3PG, 2PG, CO, NA
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Cofactor-independent phosphoglycerate mutase (EC 5.4.2.1) | protein | 549 | 34% helix, 19% strand | Q86N96 |
Ligands and binding sites
- 3PG · 3-phosphoglyceric acid · ligand · chains B
- 2PG · 2-phosphoglyceric acid · ligand · chains B
- CO · Cobalt (II) ion · metal · 2 copies · chains B
- NA · Sodium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.59 | 0.81 | 40 | empty |
| 2 | 74 | 0.53 | 0.86 | 21 | empty |
| 3 | 162 | 0.50 | 0.78 | 25 | empty |
| 4 | 91 | 0.34 | 0.74 | 24 | empty |
Compared structures
- 3IGY · Crystal structures of Leishmania mexicana phosphoglycerate mutase at high cobalt… · 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 Q86N96
- Elsewhere: RCSB PDB 3IGY · PDBe 3IGY · UniProt Q86N96
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