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MolNFT v1 · #78865 · protein

Crystal structure of NMB0315

3SLU · M23 peptidase domain protein: “Crystal structure of NMB0315”. X-ray diffraction, 1 ligand (NI), 10 pockets (best druggability 0.74). MolNFT v1 #78865 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3SLU
Type
protein
Length
709 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
M23 peptidase domain protein
UniProt
E0N688
Ligands
NI
Pockets
10 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 16% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AM23 peptidase domain proteinprotein35117% helix, 40% strandE0N688
BM23 peptidase domain proteinprotein35814% helix, 41% strandE0N688

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18660.740.78116empty
25500.690.7987empty
31320.560.8331empty
41970.520.7724empty
51190.460.7928empty

Interfaces

1 interface between chains.

  • A–B · 1250 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 3SLU · Crystal structure of NMB0315 · the same entry in another collection · chain A against A, TM-score 1.00

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