MolNFT v1 · #151082 · protein

Human STEAP4 bound to NADPH, FAD and heme.

6HD1 · Metalloreductase STEAP4: “Human STEAP4 bound to NADPH, FAD and heme.”. Electron microscopy, 5 ligands (NAP, HEM, FAD), 19 pockets (best druggability 0.85). MolNFT v1 #151082 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6HD1
Type: protein
Length: 1,308 residues
Chains: 3
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Metalloreductase STEAP4
EC: 1.16.1.-
UniProt: Q687X5
Ligands: NAP, HEM, FAD, 44E, NAG
Pockets: 19 · best druggability 0.85

Structure

electron microscopy · 1 distinct chain · 58% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C, A, B	Metalloreductase STEAP4 (EC 1.16.1.-)	protein	436	58% helix, 8% strand	Q687X5

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 3 copies · chains C, A, B
HEM · Protoporphyrin IX containing Fe · ligand · 3 copies · chains C, B, A
FAD · Flavin-adenine dinucleotide · ligand · 3 copies · chains C, B, A
44E · (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate · ligand · 3 copies · chains C, A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains C, A, B

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

Pockets

19 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1113	0.85	0.85	100	HEM
2	426	0.82	0.89	47	44E
3	608	0.80	0.86	57	HEM
4	468	0.80	0.87	50	FAD
5	605	0.80	0.85	46	HEM

Interfaces

3 interfaces between chains.

A–B · 2461 Å² buried · 12 hydrogen bonds · protein-protein
C–B · 2429 Å² buried · 11 hydrogen bonds · protein-protein
C–A · 2421 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 glycan (N-glycosylation).

Compared structures

6HD1 · human STEAP4 bound to NADPH, FAD and heme. · the same entry in another collection · chain C against C, TM-score 1.00
Q687X5 · AlphaFold monomer V2.0 prediction for metalloreductase STEAP4 (Q687X5) · a predicted model of the same protein · chain C against A, TM-score 0.86

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 Q687X5
Elsewhere: RCSB PDB 6HD1 · PDBe 6HD1 · UniProt Q687X5

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.