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Crystal structure of hasap with fe-5,15-diphenylporphyrin

Analyse Crystal structure of hasap with fe-5,15-diphenylporphyrin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5XIB
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: WUP
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 36% strand (DSSP).

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

Ligands and binding sites

WUP · 5,15-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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	110	0.73	0.94	25	empty
2	298	0.64	0.80	35	WUP
3	124	0.49	0.79	21	WUP

Interfaces

1 interface between chains.

A–B · 792 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5XIB · Crystal Structure of HasAp with Fe-5,15-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 5XIB · PDBe 5XIB · UniProt G3XD33

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