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Crystal structure of formate dehydrogenase FDH2 D222S/Q223R enzyme from granulicella mallensis MP5ACTX8 in complex with NADP and azide.
Analyse Crystal structure of formate dehydrogenase FDH2 D222S/Q223R enzyme from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TB6
- Type
- protein
- Length
- 374 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formate dehydrogenase
- EC
- 1.17.1.9
- UniProt
- G8NTI5
- Ligands
- NAP, CO, UNX, AZI
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Formate dehydrogenase (EC 1.17.1.9) | protein | 374 | 35% helix, 18% strand | G8NTI5 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains B
- CO · Cobalt (II) ion · metal · 2 copies · chains B
- UNX · Unknown atom or ion · ion · 5 copies · chains B
- AZI · Azide ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 503 | 0.70 | 0.80 | 58 | AZI, NAP |
| 2 | 131 | 0.48 | 0.78 | 24 | empty |
| 3 | 77 | 0.43 | 0.80 | 18 | empty |
| 4 | 113 | 0.41 | 0.76 | 22 | empty |
Compared structures
- 6TB6 · Crystal structure of formate dehydrogenase FDH2 D222S/Q223R enzyme from Granulicella… · 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 G8NTI5
- Elsewhere: RCSB PDB 6TB6 · PDBe 6TB6 · UniProt G8NTI5
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