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MolNFT v1 · #172499 · protein

Crystal structure of the aph coiled-coil in complex with NB49

7A48 · Nanobody 49: “Crystal structure of the aph coiled-coil in complex with NB49”. X-ray diffraction, 2 ligands (ACE, NH2), 1 pocket (best druggability 0.38). MolNFT v1 #172499 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7A48
Type
protein
Length
160 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nanobody 49; Aph colied-coil
Ligands
ACE, NH2
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANanobody 49protein1205% helix, 52% strand—
BAph colied-coilprotein4095% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains B
  • NH2 · Amino group · ion · chains B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11190.380.7522empty

Interfaces

1 interface between chains.

  • A–B · 844 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

  • 7A48 · Crystal structure of the APH coiled-coil in complex with Nb49 · the same entry in another collection · chain A against A, TM-score 1.00

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