MolNFT v1 · #116049 · protein

Crystal structure and thermal stability of hemoglobin from thermophilic phototrophic bacterium chloroflexus aurantiacus

5D1V: “Crystal structure and thermal stability of hemoglobin from thermophilic phototrophic bacterium chloroflexus…”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.75). MolNFT v1 #116049 on GenesisL1: 3D structure…

PDB: 5D1V
Type: protein
Length: 242 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Globin
UniProt: A9WBH0
Ligands: HEM
Pockets: 4 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Globin	protein	121	65% helix, 0% strand	A9WBH0

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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	331	0.75	0.86	32	HEM
2	301	0.75	0.86	31	HEM
3	130	0.39	0.75	16	empty
4	52	0.28	0.75	11	empty

Interfaces

1 interface between chains.

A–B · 230 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5D1V · Crystal Structure and Thermal Stability of Hemoglobin from Thermophilic Phototrophic… · 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 A9WBH0
Elsewhere: RCSB PDB 5D1V · PDBe 5D1V · UniProt A9WBH0

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