MolNFT v1 · #176986 · protein
Metallo beta-lactamase fold protein (camp free)
7E3V · UPF0173 metal-dependent hydrolase C7P97_11315: “Metallo beta-lactamase fold protein (camp free)”. X-ray diffraction, 3 ligands (NI, ZN, CL), 11 pockets (best druggability 0.72). MolNFT v1 #176986 on GenesisL1: 3D structure, binding…
- PDB
- 7E3V
- Type
- protein
- Length
- 1,380 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0173 metal-dependent hydrolase C7P97_11315
- UniProt
- W8UA39
- Ligands
- NI, ZN, CL
- Pockets
- 11 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | UPF0173 metal-dependent hydrolase C7P97_11315 | protein | 230 | 22% helix, 30% strand | W8UA39 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 12 copies · chains A, B, C, D, E, F
- ZN · Zinc ion · metal · 12 copies · chains A, B, C, D, E, F
- CL · Chloride ion · ion · 2 copies · chains A, B, C, D, E, F
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 627 | 0.72 | 0.79 | 84 | TRS |
| 2 | 149 | 0.53 | 0.80 | 24 | empty |
| 3 | 148 | 0.52 | 0.79 | 23 | empty |
| 4 | 118 | 0.52 | 0.81 | 24 | empty |
| 5 | 140 | 0.51 | 0.80 | 22 | empty |
Interfaces
10 interfaces between chains.
- E–F · 1134 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1121 Ų buried · 20 hydrogen bonds · protein-protein
- D–E · 1118 Ų buried · 17 hydrogen bonds · protein-protein
- D–F · 1112 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 1106 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7E3V · Metallo beta-lactamase fold protein (cAMP free) · 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 W8UA39
- Elsewhere: RCSB PDB 7E3V · PDBe 7E3V · UniProt W8UA39
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