Research workbench
Time-resolved structure of metallo beta-lactamase L1 in a complex with cleaved moxalactam (500 ms snapshot)
Analyse Time-resolved structure of metallo beta-lactamase L1 in a complex with cleaved… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7UHO
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative metallo-beta-lactamase L1 (beta-lactamase type II) (ec 3.5.2.6) (penicillinase)
- EC
- 3.5.2.6
- UniProt
- B2FTM1
- Ligands
- XQP, ZN
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative metallo-beta-lactamase L1 (beta-lactamase type II) (ec 3.5.2.6) (penicillinase) (EC 3.5.2.6) | protein | 264 | 31% helix, 22% strand | B2FTM1 |
Ligands and binding sites
- XQP · (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.37 | 0.77 | 17 | empty |
| 2 | 60 | 0.30 | 0.75 | 15 | ZN, XQP |
Compared structures
- 7UHO · Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam… · 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 B2FTM1
- Elsewhere: RCSB PDB 7UHO · PDBe 7UHO · UniProt B2FTM1
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