MolNFT v1 · #139523 · protein

Crystal structure of hasap with 5-ethynyl-10,20-diphenylporphyrin

5XIE · Heme acquisition protein hasap: “Crystal structure of hasap with 5-ethynyl-10,20-diphenylporphyrin”. X-ray diffraction, 1 ligand (WYP), 3 pockets (best druggability 0.74). MolNFT v1 #139523 on GenesisL1: 3D structure, binding sites…

PDB: 5XIE
Type: protein
Length: 367 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heme acquisition protein hasap
UniProt: G3XD33
Ligands: WYP
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heme acquisition protein hasap	protein	183	31% helix, 36% strand	G3XD33
B	Heme acquisition protein hasap	protein	184	29% helix, 36% strand	G3XD33

Ligands and binding sites

WYP · 5-Ethynyl-10,20-diphenylporphyrin containing FE · 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	131	0.74	0.93	30	empty
2	277	0.65	0.81	34	WYP
3	148	0.50	0.79	23	WYP

Interfaces

1 interface between chains.

A–B · 742 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

5XIE · Crystal Structure of HasAp with 5-ethynyl-10,20-diphenylporphyrin · 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 5XIE · PDBe 5XIE · UniProt G3XD33

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