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MolNFT v1 · #54328 · protein

Structure and metal-loading of a soluble periplasm cupro-protein: apo-cuca-closed (semet)

2XLF · SLL1785 protein: “Structure and metal-loading of a soluble periplasm cupro-protein: apo-cuca-closed (semet)”. X-ray diffraction, 5 pockets (best druggability 0.74). MolNFT v1 #54328 on GenesisL1: 3D structure, binding sites and…

PDB
2XLF
Type
protein
Length
932 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SLL1785 protein
UniProt
P73600
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DSLL1785 proteinprotein23318% helix, 36% strandP73600

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14620.740.8385empty
26860.740.8057empty
35970.740.8154empty
41410.620.8526empty
5720.390.7921empty

Interfaces

5 interfaces between chains.

  • A–B · 959 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 959 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 345 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 320 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 294 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 modified, 4 disulfide (engineered, disulfide).

Compared structures

  • 2XLF · Structure and metal-loading of a soluble periplasm cupro-protein: apo- CucA-closed (SeMet) · the same entry in another collection · chain A against A, TM-score 1.00

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