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MolNFT v1 · #165619 · protein

Crystal structure of the metallo-beta-lactamase L1 from stenotrophomonas maltophilia in the complex with the hydrolyzed antibiotic moxalactam

6U13 · Putative metallo-beta-lactamase L1 (beta-lactamase type II)…: “Crystal structure of the metallo-beta-lactamase L1 from stenotrophomonas maltophilia in the complex with the…”. X-ray diffraction, 2 ligands (MX1, ZN), 1 pocket (best…

PDB
6U13
Type
protein
Length
266 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
MX1, ZN
Pockets
1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative metallo-beta-lactamase L1 (beta-lactamase type II) (ec 3.5.2.6) (penicillinase) (EC 3.5.2.6)protein26631% helix, 24% strandB2FTM1

Ligands and binding sites

  • MX1 · (2R)-2-((R)-carboxy{[carboxy(4-hydroxyphenyl) acetyl]amino}methoxymethyl)-5-methylene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11460.450.7626MX1, ZN

Compared structures

  • 6U13 · Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in… · the same entry in another collection · chain A against A, TM-score 1.00

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