MolNFT v1 · #122493 · protein

WELO5 bound to FE(II), cl, and 2-oxoglutarate

5IQS: “WELO5 bound to FE(II), cl, and 2-oxoglutarate”. X-ray diffraction, 3 ligands (AKG, FE2, CL), 6 pockets (best druggability 0.74). MolNFT v1 #122493 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5IQS
Type: protein
Length: 841 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: WELO5
UniProt: A0A067YX61
Ligands: AKG, FE2, CL
Pockets: 6 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	WELO5	protein	280	33% helix, 27% strand	A0A067YX61
B	WELO5	protein	281	33% helix, 27% strand	A0A067YX61

Ligands and binding sites

AKG · 2-oxoglutaric acid · ligand · 3 copies · chains A, B, C
FE2 · Fe (II) ion · metal · 3 copies · chains A, B, C
CL · Chloride ion · ion · 3 copies · chains A, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	708	0.74	0.80	66	empty
2	562	0.72	0.80	52	FE2, AKG, CL
3	503	0.72	0.81	48	FE2, AKG, CL
4	440	0.72	0.82	44	FE2, AKG, CL
5	84	0.33	0.74	18	empty

Interfaces

3 interfaces between chains.

B–C · 361 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 305 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 284 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

5IQS · WelO5 bound to Fe(II), Cl, and 2-oxoglutarate · the same entry in another collection · chain A against A, TM-score 1.00

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 A0A067YX61
Elsewhere: RCSB PDB 5IQS · PDBe 5IQS · UniProt A0A067YX61

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