MolNFT v1 · #125352 · protein

UBA1 in complex with ub-MLN4924 covalent adduct

5L6I: “UBA1 in complex with ub-MLN4924 covalent adduct”. X-ray diffraction, 3 ligands (B39, CL, SO4). MolNFT v1 #125352 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5L6I
Type: protein
Length: 2,236 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P22515, P05759
Ligands: B39, CL, SO4

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	1007	—	P22515
B, D	—	protein	76	—	P05759
C	—	protein	1004	—	P22515
E	—	protein	73	—	P05759

Ligands and binding sites

B39 · [(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate · ligand · 2 copies · chains A, B, C, D
CL · Chloride ion · ion · 16 copies · chains A, B, C, D, E
SO4 · Sulfate ion · ion · 2 copies · chains A, C
GOL · Glycerol · additive · 16 copies · chains A, C

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

Compared structures

5L6I · Uba1 in complex with Ub-MLN4924 covalent adduct · the same entry in another collection · chain B against B, TM-score 1.00
P22515 · AlphaFold monomer V2.0 prediction for ubiquitin-activating enzyme E1 1 (P22515) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P22515
Every structure of UniProt P05759
Elsewhere: RCSB PDB 5L6I · PDBe 5L6I · UniProt P22515 · UniProt P05759

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