MolNFT v1 · #174614 · protein
Formate--tetrahydrofolate ligase from methylobacterium extorquens CM4 strain
7C11 · Formate-tetrahydrofolate ligase: “Formate--tetrahydrofolate ligase from methylobacterium extorquens CM4 strain”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #174614 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7C11
- Type
- protein
- Length
- 4,437 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formate-tetrahydrofolate ligase
- EC
- 6.3.4.3
- UniProt
- B7L0A5
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Formate-tetrahydrofolate ligase (EC 6.3.4.3) | protein | 557 | 39% helix, 20% strand | B7L0A5 |
| B | Formate-tetrahydrofolate ligase (EC 6.3.4.3) | protein | 558 | 38% helix, 20% strand | B7L0A5 |
| C, D, O | Formate-tetrahydrofolate ligase (EC 6.3.4.3) | protein | 556 | 38% helix, 20% strand | B7L0A5 |
| M | Formate-tetrahydrofolate ligase (EC 6.3.4.3) | protein | 552 | 38% helix, 20% strand | B7L0A5 |
| N | Formate-tetrahydrofolate ligase (EC 6.3.4.3) | protein | 555 | 35% helix, 19% strand | B7L0A5 |
| P | Formate-tetrahydrofolate ligase (EC 6.3.4.3) | protein | 547 | 35% helix, 19% strand | B7L0A5 |
Ligands and binding sites
- TLA · L(+)-tartaric acid · additive · chains B, D
- ACT · Acetate ion · additive · chains D
- FLC · Citrate anion · additive · chains N, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 949 | 0.81 | 0.83 | 128 | empty |
| 2 | 1044 | 0.81 | 0.82 | 123 | empty |
| 3 | 120 | 0.79 | 0.98 | 30 | empty |
| 4 | 721 | 0.79 | 0.84 | 70 | empty |
| 5 | 933 | 0.79 | 0.81 | 123 | empty |
Interfaces
20 interfaces between chains.
- M–N · 2961 Ų buried · 43 hydrogen bonds · protein-protein
- C–D · 2834 Ų buried · 39 hydrogen bonds · protein-protein
- O–P · 2808 Ų buried · 37 hydrogen bonds · protein-protein
- A–B · 2797 Ų buried · 42 hydrogen bonds · protein-protein
- B–D · 847 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7C11 · Formate--tetrahydrofolate ligase from Methylobacterium extorquens CM4 strain · the same entry in another collection · chain P against P, TM-score 1.00
- B7L0A5 · AlphaFold monomer V2.0 prediction for formate--tetrahydrofolate ligase (B7L0A5) · a predicted model of the same protein · chain A against A, 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 B7L0A5
- Elsewhere: RCSB PDB 7C11 · PDBe 7C11 · UniProt B7L0A5
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