MolNFT v1 · #83133 · protein

Crystal structure of hasap with iron phthalocyanine

3W8O · Heme acquisition protein hasap: “Crystal structure of hasap with iron phthalocyanine”. X-ray diffraction, 1 ligand (WPC), 3 pockets (best druggability 0.75). MolNFT v1 #83133 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3W8O
Type: protein
Length: 368 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heme acquisition protein hasap
UniProt: G3XD33
Ligands: WPC
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Heme acquisition protein hasap	protein	184	31% helix, 38% strand	G3XD33

Ligands and binding sites

WPC · [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron · ligand · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	86	0.75	0.97	26	empty
2	326	0.64	0.80	44	WPC
3	127	0.52	0.80	22	WPC

Interfaces

1 interface between chains.

A–B · 704 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

3W8O · Crystal Structure of HasAp with Iron Phthalocyanine · 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 G3XD33
Elsewhere: RCSB PDB 3W8O · PDBe 3W8O · UniProt G3XD33

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