MolNFT v1 · #97333 · protein
X-ray crystal structure of O-acetylhomoserine sulfhydrylase metc from mycobacterium marinum atcc baa-535 / M
4KAM: “X-ray crystal structure of O-acetylhomoserine sulfhydrylase metc from mycobacterium marinum atcc baa-535 / M”. X-ray diffraction, 1 ligand (SO4), 12 pockets (best druggability 0.84). MolNFT v1 #97333 on GenesisL1: 3D structure…
- PDB
- 4KAM
- Type
- protein
- Length
- 1,509 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-acetylhomoserine sulfhydrylase metc
- UniProt
- B2HDS7
- Ligands
- SO4
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | O-acetylhomoserine sulfhydrylase metc | protein | 377 | 41% helix, 16% strand | B2HDS7 |
| B | O-acetylhomoserine sulfhydrylase metc | protein | 381 | 40% helix, 16% strand | B2HDS7 |
| C | O-acetylhomoserine sulfhydrylase metc | protein | 383 | 41% helix, 15% strand | B2HDS7 |
| D | O-acetylhomoserine sulfhydrylase metc | protein | 368 | 40% helix, 16% strand | B2HDS7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 864 | 0.84 | 0.86 | 123 | SO4 |
| 2 | 546 | 0.75 | 0.83 | 68 | SO4 |
| 3 | 227 | 0.69 | 0.86 | 38 | empty |
| 4 | 283 | 0.68 | 0.84 | 41 | empty |
| 5 | 441 | 0.64 | 0.78 | 54 | SO4 |
Interfaces
6 interfaces between chains.
- C–D · 1813 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 1734 Ų buried · 30 hydrogen bonds · protein-protein
- B–D · 1685 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 1601 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 358 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4KAM · X-ray crystal structure of O-acetylhomoserine sulfhydrylase MetC from Mycobacterium… · the same entry in another collection · 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 B2HDS7
- Elsewhere: RCSB PDB 4KAM · PDBe 4KAM · UniProt B2HDS7
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