MolNFT v1 · #78750 · protein

Crystal structure of the bacillus anthracis hemophore ISDX1 complexed with heme

3SIK · Conserved domain protein: “Crystal structure of the bacillus anthracis hemophore ISDX1 complexed with heme”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.40). MolNFT v1 #78750 on GenesisL1: 3D structure, binding…

PDB: 3SIK
Type: protein
Length: 245 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Conserved domain protein
UniProt: Q81L44
Ligands: HEM
Pockets: 4 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 58% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Conserved domain protein	protein	123	8% helix, 60% strand	Q81L44
B	Conserved domain protein	protein	122	2% helix, 56% strand	Q81L44

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	105	0.40	0.76	19	empty
2	81	0.35	0.75	16	HEM
3	57	0.30	0.74	17	HEM
4	55	0.28	0.74	10	empty

Interfaces

1 interface between chains.

A–B · 58 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3SIK · Crystal structure of the Bacillus anthracis hemophore IsdX1 complexed 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 Q81L44
Elsewhere: RCSB PDB 3SIK · PDBe 3SIK · UniProt Q81L44

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