MolNFT v1 · #142869 · protein
CAB2 mutant-H337A
6AI8 · Phosphopantothenate--cysteine ligase CAB2: “CAB2 mutant-H337A”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.83). MolNFT v1 #142869 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6AI8
- Type
- protein
- Length
- 616 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphopantothenate--cysteine ligase CAB2
- EC
- 6.3.2.5
- UniProt
- P40506
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphopantothenate--cysteine ligase CAB2 (EC 6.3.2.5) | protein | 309 | 41% helix, 24% strand | P40506 |
| B | Phosphopantothenate--cysteine ligase CAB2 (EC 6.3.2.5) | protein | 307 | 37% helix, 24% strand | P40506 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1011 | 0.83 | 0.84 | 104 | GOL |
| 2 | 537 | 0.81 | 0.87 | 54 | GOL, SO4 |
| 3 | 407 | 0.80 | 0.89 | 48 | GOL, SO4 |
| 4 | 124 | 0.56 | 0.83 | 20 | GOL |
Interfaces
1 interface between chains.
- A–B · 2892 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
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 P40506
- Elsewhere: RCSB PDB 6AI8 · PDBe 6AI8 · UniProt P40506
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