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MolNFT v1 · #174858 · protein

Crystal structure of iscu wild-type

7C8M · Nitrogen-fixing nifu domain protein: “Crystal structure of iscu wild-type”. X-ray diffraction, 1 ligand (FES), 2 pockets (best druggability 0.57). MolNFT v1 #174858 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7C8M
Type
protein
Length
256 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nitrogen-fixing nifu domain protein
UniProt
A0B757
Ligands
FES
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CNitrogen-fixing nifu domain proteinprotein12850% helix, 22% strandA0B757

Ligands and binding sites

  • FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12400.570.7938empty
2530.480.8619empty

Interfaces

1 interface between chains.

  • A–C · 631 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 7C8M · Crystal structure of IscU wild-type · the same entry in another collection · chain A against A, TM-score 1.00

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