MolNFT v1 · #4324 · protein

Crystal structure of the hemophore hasa, pH 6.5

1DKH · Heme-binding protein a: “Crystal structure of the hemophore hasa, pH 6.5”. X-ray diffraction, 3 ligands (HEM, ZN, SM), 1 pocket (best druggability 0.54). MolNFT v1 #4324 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1DKH
Type: protein
Length: 172 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heme-binding protein a
UniProt: Q54450
Ligands: HEM, ZN, SM
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heme-binding protein a	protein	172	27% helix, 33% strand	Q54450

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
ZN · Zinc ion · metal · 3 copies · chains A
SM · Samarium (III) ion · metal · chains A

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	124	0.54	0.82	24	HEM

Compared structures

1DKH · Crystal structure of the hemophore hasa, pH 6.5 · the same entry in another collection · chain A against A, TM-score 1.00
Q54450 · AlphaFold monomer V2.0 prediction for hemophore hasa (Q54450) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q54450
Elsewhere: RCSB PDB 1DKH · PDBe 1DKH · UniProt Q54450

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