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MolNFT v1 · #102117 · protein

Cryatal structure of arnb K188A complexted with plp and udp-ARA4N

4OCA · Udp-4-amino-4-deoxy-L-arabinose--oxoglutarate…: “Cryatal structure of arnb K188A complexted with plp and udp-ARA4N”. X-ray diffraction, 1 ligand (2QR), 3 pockets (best druggability 0.59). MolNFT v1 #102117 on GenesisL1: 3D…

PDB
4OCA
Type
protein
Length
363 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-4-amino-4-deoxy-L-arabinose--oxoglutarate aminotransferase
EC
2.6.1.87
UniProt
F5ZUF5
Ligands
2QR
Pockets
3 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUdp-4-amino-4-deoxy-L-arabinose--oxoglutarate aminotransferase (EC 2.6.1.87)protein36342% helix, 17% strandF5ZUF5

Ligands and binding sites

  • 2QR · (2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyr an-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11400.590.84232QR
2650.470.8320empty
3850.340.7516empty

Compared structures

  • 4OCA · Cryatal structure of ArnB K188A complexted with PLP and UDP-Ara4N · the same entry in another collection · chain A against A, TM-score 1.00

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