MolNFT v1 · #81381 · protein

Crystal structure of otemo complex with FAD and NADP (form 2)

3UOZ: “Crystal structure of otemo complex with FAD and NADP (form 2)”. X-ray diffraction, 2 ligands (FAD, NAP), 11 pockets (best druggability 0.82). MolNFT v1 #81381 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3UOZ
Type: protein
Length: 1,080 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Otemo
EC: 1.-.-.-
Ligands: FAD, NAP
Pockets: 11 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Otemo (EC 1.-.-.-)	protein	540	36% helix, 21% strand	—

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B

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

Pockets

11 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	1173	0.82	0.83	93	FAD, NAP
2	818	0.82	0.84	102	empty
3	1191	0.81	0.82	91	FAD, NAP
4	396	0.69	0.81	63	empty
5	115	0.45	0.78	24	empty

Interfaces

1 interface between chains.

A–B · 1145 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3UOZ · Crystal Structure of OTEMO complex with FAD and NADP (form 2) · 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
Elsewhere: RCSB PDB 3UOZ · PDBe 3UOZ

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