Research workbench

Crystal structure of the bacillus anthracis hal neat domain in complex with heme

Analyse Crystal structure of the bacillus anthracis hal neat domain in complex with heme in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4YMP
Type: protein
Length: 215 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Internalin
UniProt: A0A075KLA4
Ligands: HEM
Pockets: 1 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 62% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Internalin	protein	112	7% helix, 63% strand	A0A075KLA4
C	Internalin	protein	103	8% helix, 61% strand	A0A075KLA4

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	443	0.65	0.77	38	HEM

Interfaces

1 interface between chains.

A–C · 94 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4YMP · Crystal structure of the Bacillus anthracis Hal NEAT domain in complex with heme · 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 A0A075KLA4
Elsewhere: RCSB PDB 4YMP · PDBe 4YMP · UniProt A0A075KLA4

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.