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Crystal structure of smb-1 metallo-beta-lactamase in a complex with tsa

Analyse Crystal structure of smb-1 metallo-beta-lactamase in a complex with tsa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6K4T
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: JKE, ZN, SO4
Pockets: 1 · best druggability 0.39

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

JKE · 2-sulfanylbenzoic 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 · 2 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	103	0.39	0.76	26	ZN, JKE, SO4

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6K4T · Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA · 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 6K4T · PDBe 6K4T · UniProt G5ELM3

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