MolNFT v1 · #85860 · protein
Crystal structure of human molybdopterin synthase catalytic subunit (MOCS2B)
4AP8: “Crystal structure of human molybdopterin synthase catalytic subunit (MOCS2B)”. X-ray diffraction, 5 pockets (best druggability 0.52). MolNFT v1 #85860 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4AP8
- Type
- protein
- Length
- 535 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdopterin synthase catalytic subunit
- EC
- 2.8.1.12
- UniProt
- O96007
- Pockets
- 5 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Molybdopterin synthase catalytic subunit (EC 2.8.1.12) | protein | 134 | 31% helix, 43% strand | O96007 |
| D | Molybdopterin synthase catalytic subunit (EC 2.8.1.12) | protein | 133 | 32% helix, 39% strand | O96007 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.52 | 0.76 | 34 | empty |
| 2 | 97 | 0.39 | 0.76 | 15 | empty |
| 3 | 61 | 0.35 | 0.78 | 13 | empty |
| 4 | 74 | 0.34 | 0.75 | 16 | EDO |
| 5 | 53 | 0.32 | 0.77 | 16 | empty |
Interfaces
4 interfaces between chains.
- A–C · 476 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 364 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 261 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 246 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4AP8 · Crystal structure of human Molybdopterin synthase catalytic subunit (MOCS2B) · the same entry in another collection · chain A against A, TM-score 1.00
- O96007 · AlphaFold monomer V2.0 prediction for molybdopterin synthase catalytic subunit (O96007) · a predicted model of the same protein · chain D 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 O96007
- Elsewhere: RCSB PDB 4AP8 · PDBe 4AP8 · UniProt O96007
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