MolNFT v1 · #69157 · protein
Crystal structure of a possible dehydrogenase from mycobacterium tuberculosis at 2.3A resolution
3KHP · Maoc family protein: “Crystal structure of a possible dehydrogenase from mycobacterium tuberculosis at 2.3A resolution”. X-ray diffraction, 1 ligand (CL), 9 pockets (best druggability 0.67). MolNFT v1 #69157 on GenesisL1: 3D…
- PDB
- 3KHP
- Type
- protein
- Length
- 1,102 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maoc family protein
- EC
- 1.-.-.-
- UniProt
- Q11198
- Ligands
- CL
- Pockets
- 9 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 24% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maoc family protein (EC 1.-.-.-) | protein | 288 | 22% helix, 31% strand | Q11198 |
| B | Maoc family protein (EC 1.-.-.-) | protein | 286 | 24% helix, 30% strand | Q11198 |
| C | Maoc family protein (EC 1.-.-.-) | protein | 261 | 25% helix, 32% strand | Q11198 |
| D | Maoc family protein (EC 1.-.-.-) | protein | 267 | 25% helix, 31% strand | Q11198 |
Ligands and binding sites
- CL · Chloride ion · ion · 7 copies · chains A, C, B, D
- TLA · L(+)-tartaric acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 849 | 0.67 | 0.74 | 86 | empty |
| 2 | 236 | 0.60 | 0.80 | 43 | CL |
| 3 | 276 | 0.58 | 0.77 | 40 | TLA |
| 4 | 287 | 0.57 | 0.77 | 51 | empty |
| 5 | 225 | 0.57 | 0.79 | 43 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1452 Ų buried · 33 hydrogen bonds · protein-protein
- B–D · 1440 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 541 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3KHP · Crystal structure of a possible dehydrogenase from Mycobacterium tuberculosis at 2.3A… · 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 Q11198
- Elsewhere: RCSB PDB 3KHP · PDBe 3KHP · UniProt Q11198
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