MolNFT v1 · #152688 · protein
Crystal structure of histidine triad nucleotide-binding protein from candida albicans
6IQ1 · Adenosine 5'-monophosphoramidase: “Crystal structure of histidine triad nucleotide-binding protein from candida albicans”. X-ray diffraction, 1 ligand (ZN), 11 pockets (best druggability 0.58). MolNFT v1 #152688 on GenesisL1: 3D…
- PDB
- 6IQ1
- Type
- protein
- Length
- 576 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosine 5'-monophosphoramidase
- UniProt
- Q59WG0
- Ligands
- ZN
- Pockets
- 11 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosine 5'-monophosphoramidase | protein | 143 | 33% helix, 22% strand | Q59WG0 |
| B | Adenosine 5'-monophosphoramidase | protein | 145 | 32% helix, 21% strand | Q59WG0 |
| C | Adenosine 5'-monophosphoramidase | protein | 144 | 33% helix, 22% strand | Q59WG0 |
| D | Adenosine 5'-monophosphoramidase | protein | 144 | 35% helix, 22% strand | Q59WG0 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.58 | 0.80 | 23 | empty |
| 2 | 161 | 0.49 | 0.77 | 24 | empty |
| 3 | 148 | 0.49 | 0.77 | 23 | empty |
| 4 | 158 | 0.48 | 0.77 | 24 | empty |
| 5 | 142 | 0.48 | 0.77 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–D · 3834 Ų buried · 52 hydrogen bonds · protein-protein
- B–C · 3777 Ų buried · 54 hydrogen bonds · protein-protein
- A–B · 372 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6IQ1 · Crystal structure of histidine triad nucleotide-binding protein from Candida albicans · 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 Q59WG0
- Elsewhere: RCSB PDB 6IQ1 · PDBe 6IQ1 · UniProt Q59WG0
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