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MolNFT v1 · #120418 · protein

Crystal structure of chitinase chiw from paenibacillus sp. str. fpu-7 reveals a novel type of bacterial cell-surface-expressed multi- modular enzyme machinery

5GZT: “Crystal structure of chitinase chiw from paenibacillus sp. str. fpu-7 reveals a novel type of bacterial…”. X-ray diffraction, 2 ligands (NA, PO4), 8 pockets (best druggability 0.68). MolNFT v1 #120418 on GenesisL1: 3D structure…

PDB
5GZT
Type
protein
Length
1,203 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chitinase
UniProt
K7ZLW6
Ligands
NA, PO4
Pockets
8 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChitinaseprotein694% helix, 29% strandK7ZLW6
BChitinaseprotein113426% helix, 31% strandK7ZLW6

Ligands and binding sites

  • NA · Sodium ion · metal · chains B
  • PO4 · Phosphate ion · ion · chains B
  • FMT · Formic acid · additive · 10 copies · chains B

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17410.680.7670FMT
24040.620.7742empty
33860.610.7637empty
42620.570.7836empty
52220.490.7537empty

Interfaces

1 interface between chains.

  • A–B · 934 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 5GZT · Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel… · the same entry in another collection · chain A against A, TM-score 1.00

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