MolNFT v1 · #55424 · protein

Rat STEAP4 oxidoreductase domain complexed with NADP

2YJZ · Metalloreductase STEAP4: “Rat STEAP4 oxidoreductase domain complexed with NADP”. X-ray diffraction, 2 ligands (NAP, SO4), 5 pockets (best druggability 0.68). MolNFT v1 #55424 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2YJZ
Type: protein
Length: 696 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Metalloreductase STEAP4
EC: 1.16.1.-
UniProt: Q4V8K1
Ligands: NAP, SO4
Pockets: 5 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Metalloreductase STEAP4 (EC 1.16.1.-)	protein	174	39% helix, 22% strand	Q4V8K1

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	716	0.68	0.76	90	SO4, NAP
2	192	0.48	0.75	35	NAP, SO4
3	157	0.45	0.76	25	NAP, SO4
4	159	0.44	0.75	33	NAP, SO4
5	55	0.27	0.74	17	empty

Interfaces

6 interfaces between chains.

C–D · 734 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 727 Å² buried · 10 hydrogen bonds · protein-protein
B–C · 395 Å² buried · 7 hydrogen bonds · protein-protein
A–D · 379 Å² buried · 6 hydrogen bonds · protein-protein
B–D · 290 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

2YJZ · Rat STEAP4 oxidoreductase domain complexed with NADP · the same entry in another collection · chain A against A, TM-score 1.00
Q4V8K1 · AlphaFold monomer V2.0 prediction for metalloreductase STEAP4 (Q4V8K1) · 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 Q4V8K1
Elsewhere: RCSB PDB 2YJZ · PDBe 2YJZ · UniProt Q4V8K1

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