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MolNFT v1 · #17968 · protein

Crystal structure of escherichia COLI mobb.

1P9N · Molybdopterin-guanine dinucleotide biosynthesis protein B: “Crystal structure of escherichia COLI mobb.”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.54). MolNFT v1 #17968 on GenesisL1: 3D structure, binding…

PDB
1P9N
Type
protein
Length
324 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Molybdopterin-guanine dinucleotide biosynthesis protein B
UniProt
P32125
Ligands
SO4
Pockets
4 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMolybdopterin-guanine dinucleotide biosynthesis protein Bprotein16226% helix, 25% strandP32125

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12190.540.7726empty
21100.460.7923empty
3860.420.7920empty
4850.420.7920empty

Interfaces

1 interface between chains.

  • A–B · 2754 Ų buried · 50 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 1P9N · Crystal structure of Escherichia coli MobB. · the same entry in another collection · chain A against A, TM-score 1.00
  • P32125 · AlphaFold monomer V2.0 prediction for molybdopterin-guanine dinucleotide biosynthesis… · a predicted model of the same protein · chain A against A, TM-score 0.97

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