MolNFT v1 · #83188 · protein

Crystal structure of hasap with iron mesoporphyrinix

3WAH · Heme acquisition protein hasap: “Crystal structure of hasap with iron mesoporphyrinix”. X-ray diffraction, 1 ligand (MH0), 4 pockets (best druggability 0.60). MolNFT v1 #83188 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3WAH
Type: protein
Length: 366 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heme acquisition protein hasap
UniProt: G3XD33
Ligands: MH0
Pockets: 4 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Heme acquisition protein hasap	protein	183	30% helix, 36% strand	G3XD33

Ligands and binding sites

MH0 · Mesoheme · ligand · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	173	0.60	0.82	29	MH0
2	135	0.52	0.80	21	MH0
3	90	0.41	0.78	17	empty
4	72	0.29	0.73	15	empty

Interfaces

1 interface between chains.

A–B · 441 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

3WAH · Crystal Structure of HasAp with Iron MesoporphyrinIX · 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 3WAH · PDBe 3WAH · UniProt G3XD33

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