MolNFT v1 · #154246 · protein
Crystal structure of smb-1 metallo-beta-lactamase in a complex with asb
6K4X: “Crystal structure of smb-1 metallo-beta-lactamase in a complex with asb”. X-ray diffraction, 3 ligands (D0U, ZN, SO4), 1 pocket (best druggability 0.38). MolNFT v1 #154246 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6K4X
- Type
- protein
- Length
- 260 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metallo-beta-lactamase
- EC
- 3.5.2.6
- UniProt
- G5ELM3
- Ligands
- D0U, ZN, SO4
- Pockets
- 1 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metallo-beta-lactamase (EC 3.5.2.6) | protein | 260 | 36% helix, 23% strand | G5ELM3 |
Ligands and binding sites
- D0U · 4-azanyl-2-sulfanyl-benzoic acid · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 98 | 0.38 | 0.76 | 25 | ZN, D0U |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6K4X · Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB · 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 G5ELM3
- Elsewhere: RCSB PDB 6K4X · PDBe 6K4X · UniProt G5ELM3
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