MolNFT v1 · #151079 · protein

Human STEAP4 bound to NADP, FAD, heme and FE(III)-nta.

6HCY · Metalloreductase STEAP4: “Human STEAP4 bound to NADP, FAD, heme and FE(III)-nta.”. Electron microscopy, 5 ligands (NAP, HEM, FAD), 18 pockets (best druggability 0.83). MolNFT v1 #151079 on GenesisL1: 3D structure, binding sites and…

PDB: 6HCY
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: 18 · best druggability 0.83

Structure

electron microscopy · 1 distinct chain · 55% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C, A, B	Metalloreductase STEAP4 (EC 1.16.1.-)	protein	436	55% 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

18 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	488	0.83	0.89	51	44E
2	490	0.81	0.87	52	FAD
3	584	0.80	0.86	51	FAD
4	535	0.80	0.86	48	HEM
5	457	0.80	0.87	46	FAD

Interfaces

3 interfaces between chains.

A–B · 2492 Å² buried · 16 hydrogen bonds · protein-protein
C–B · 2477 Å² buried · 17 hydrogen bonds · protein-protein
C–A · 2468 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

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

Compared structures

6HCY · human STEAP4 bound to NADP, FAD, heme and Fe(III)-NTA. · 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 6HCY · PDBe 6HCY · UniProt Q687X5

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