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MolNFT v1 · #26654 · protein

Crystal structure of chitinase C from streptomyces griseus HUT6037

1WVU: “Crystal structure of chitinase C from streptomyces griseus HUT6037”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.69). MolNFT v1 #26654 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1WVU
Type
protein
Length
462 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chitinase C
EC
3.2.1.14
Ligands
CL
Pockets
3 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChitinase C (EC 3.2.1.14)protein20952% helix, 1% strand—
BChitinase C (EC 3.2.1.14)protein25342% helix, 9% strand—

Ligands and binding sites

  • CL · Chloride ion · ion · 13 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12010.690.8735CL
22650.680.8331empty
33820.610.7741CL

Interfaces

1 interface between chains.

  • A–B · 1065 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 1WVU · Crystal structure of chitinase C from Streptomyces griseus HUT6037 · the same entry in another collection · chain A against A, TM-score 1.00

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