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MolNFT v1 · #157074 · protein

Crystal structure of kpc-2 with compound 6

6MNP · Carbapenem-hydrolyzing beta-lactamase kpc: “Crystal structure of kpc-2 with compound 6”. X-ray diffraction, 1 ligand (1CE). MolNFT v1 #157074 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6MNP
Type
protein
Length
266 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carbapenem-hydrolyzing beta-lactamase kpc
EC
3.5.2.6
UniProt
Q9F663
Ligands
1CE

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbapenem-hydrolyzing beta-lactamase kpc (EC 3.5.2.6)protein26643% helix, 17% strandQ9F663

Ligands and binding sites

  • 1CE · 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one · ligand · 3 copies · chains A
  • GOL · Glycerol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6MNP · Crystal structure of KPC-2 with compound 6 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9F663 · AlphaFold monomer V2.0 prediction for carbapenem-hydrolyzing beta- lactamase kpc (Q9F663) · a predicted model of the same protein · chain A against A, TM-score 0.99

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